![13-(4-chlorophenyl)-4,4,15-trimethyl-8-(morpholin-4-yl)-5-oxa-11-thia-9,16-diazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-1(10),2(7),8,12(17),13,15-hexaene-14-carboxylic acid structure](/static/products/303/303115-19-7.png)
13-(4-chlorophenyl)-4,4,15-trimethyl-8-(morpholin-4-yl)-5-oxa-11-thia-9,16-diazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-1(10),2(7),8,12(17),13,15-hexaene-14-carboxylic acid
TL;DR: 13-(4-chlorophenyl)-4,4,15-trimethyl-8-(morpholin-4-yl)-5-oxa-11-thia-9,16-diazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-1(10),2(7),8,12(17),13,15-hexaene-14-carboxylic acid (CAS 303115-19-7) is a chemical compound with molecular formula C27H26ClN3O4S and molecular weight 523.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-(4-chlorophenyl)-4,4,15-trimethyl-8-morpholin-4-yl-5-oxa-11-thia-9,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12,14,16-hexaene-14-carboxylic acid
Also Known As: 13-(4-chlorophenyl)-4,4,15-trimethyl-8-(morpholin-4-yl)-5-oxa-11-thia-9,16-diazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-1(10),2(7),8,12(17),13,15-hexaene-14-carboxylic acid
| Molecular Formula | C27H26ClN3O4S |
|---|---|
| Molecular Weight | 523.13 g/mol |
| LogP | 5.85942 |
| Topological Polar Surface Area | 84.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 523.13324 |
| Heavy Atoms | 36 |
| Complexity | 1524.5897 |
Chemical Identifiers
| CAS Number | 303115-19-7 |
|---|---|
| SMILES | CC1=C(C(=C2C(=N1)C3=C(S2)N=C(C4=C3CC(OC4)(C)C)N5CCOCC5)C6=CC=C(C=C6)Cl)C(=O)O |
Product Overview
13-(4-chlorophenyl)-4,4,15-trimethyl-8-(morpholin-4-yl)-5-oxa-11-thia-9,16-diazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-1(10),2(7),8,12(17),13,15-hexaene-14-carboxylic acid (CAS 303115-19-7), with molecular formula C27H26ClN3O4S and molecular weight 523.13 g/mol. IUPAC: 13-(4-chlorophenyl)-4,4,15-trimethyl-8-morpholin-4-yl-5-oxa-11-thia-9,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12,14,16-hexaene-14-carboxylic acid.
Chemical Property Profile of 13-(4-chlorophenyl)-4,4,15-trimethyl-8-(morpholin-4-yl)-5-oxa-11-thia-9,16-diazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-1(10),2(7),8,12(17),13,15-hexaene-14-carboxylic acid
Property Insights of 13-(4-chlorophenyl)-4,4,15-trimethyl-8-(morpholin-4-yl)-5-oxa-11-thia-9,16-diazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-1(10),2(7),8,12(17),13,15-hexaene-14-carboxylic acid
The XLogP value of 5.85942 indicates that 13-(4-chlorophenyl)-4,4,15-trimethyl-8-(morpholin-4-yl)-5-oxa-11-thia-9,16-diazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-1(10),2(7),8,12(17),13,15-hexaene-14-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 13-(4-chlorophenyl)-4,4,15-trimethyl-8-(morpholin-4-yl)-5-oxa-11-thia-9,16-diazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-1(10),2(7),8,12(17),13,15-hexaene-14-carboxylic acid. Following Lipinski's Rule of Five, 13-(4-chlorophenyl)-4,4,15-trimethyl-8-(morpholin-4-yl)-5-oxa-11-thia-9,16-diazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-1(10),2(7),8,12(17),13,15-hexaene-14-carboxylic acid has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 13-(4-chlorophenyl)-4,4,15-trimethyl-8-(morpholin-4-yl)-5-oxa-11-thia-9,16-diazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-1(10),2(7),8,12(17),13,15-hexaene-14-carboxylic acid?
The CAS number of 13-(4-chlorophenyl)-4,4,15-trimethyl-8-(morpholin-4-yl)-5-oxa-11-thia-9,16-diazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-1(10),2(7),8,12(17),13,15-hexaene-14-carboxylic acid is 303115-19-7.
What is the molecular formula of 13-(4-chlorophenyl)-4,4,15-trimethyl-8-(morpholin-4-yl)-5-oxa-11-thia-9,16-diazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-1(10),2(7),8,12(17),13,15-hexaene-14-carboxylic acid?
The molecular formula of 13-(4-chlorophenyl)-4,4,15-trimethyl-8-(morpholin-4-yl)-5-oxa-11-thia-9,16-diazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-1(10),2(7),8,12(17),13,15-hexaene-14-carboxylic acid is C27H26ClN3O4S.
What is the molecular weight of 13-(4-chlorophenyl)-4,4,15-trimethyl-8-(morpholin-4-yl)-5-oxa-11-thia-9,16-diazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-1(10),2(7),8,12(17),13,15-hexaene-14-carboxylic acid?
The molecular weight of 13-(4-chlorophenyl)-4,4,15-trimethyl-8-(morpholin-4-yl)-5-oxa-11-thia-9,16-diazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-1(10),2(7),8,12(17),13,15-hexaene-14-carboxylic acid is 523.13 g/mol.
Where can I buy 13-(4-chlorophenyl)-4,4,15-trimethyl-8-(morpholin-4-yl)-5-oxa-11-thia-9,16-diazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-1(10),2(7),8,12(17),13,15-hexaene-14-carboxylic acid?
You can request a quote for 13-(4-chlorophenyl)-4,4,15-trimethyl-8-(morpholin-4-yl)-5-oxa-11-thia-9,16-diazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-1(10),2(7),8,12(17),13,15-hexaene-14-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 13-(4-chlorophenyl)-4,4,15-trimethyl-8-(morpholin-4-yl)-5-oxa-11-thia-9,16-diazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-1(10),2(7),8,12(17),13,15-hexaene-14-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 13-(4-chlorophenyl)-4,4,15-trimethyl-8-(morpholin-4-yl)-5-oxa-11-thia-9,16-diazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-1(10),2(7),8,12(17),13,15-hexaene-14-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.