AN-988/15131300
TL;DR: AN-988/15131300 (CAS 444649-80-3) is a chemical compound with molecular formula C35H26ClN3O5S and molecular weight 635.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(14E)-11-(2-chlorophenyl)-14-[(5-methoxy-2-nitro-4-phenylmethoxyphenyl)methylidene]-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one
Also Known As: AN-988/15131300, 10-{4-(benzyloxy)-2-nitro-5-methoxybenzylidene}-7-(2-chlorophenyl)-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9(10H)-one, A3149/0133142, 10-{(E)-1-[4-(BENZYLOXY)-5-METHOXY-2-NITROPHENYL]METHYLIDENE}-7-(2-CHLOROPHENYL)-5,7-DIHYDRO-6H-BENZO[H][1,3]THIAZOLO[2,3-B]QUINAZOLIN-9(10H)-ONE, (14E)-11-(2-chlorophenyl)-14-[(5-methoxy-2-nitro-4-phenylmethoxyphenyl)methylidene]-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one
| Molecular Formula | C35H26ClN3O5S |
|---|---|
| Molecular Weight | 635.13 g/mol |
| LogP | 6.4679 |
| Topological Polar Surface Area | 95.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 635.1282 |
| Heavy Atoms | 45 |
| Complexity | 2189.1943 |
Chemical Identifiers
| CAS Number | 444649-80-3 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)/C=C/2\C(=O)N3C(C4=C(C5=CC=CC=C5CC4)N=C3S2)C6=CC=CC=C6Cl)[N+](=O)[O-])OCC7=CC=CC=C7 |
Product Overview
AN-988/15131300 (CAS 444649-80-3), with molecular formula C35H26ClN3O5S and molecular weight 635.13 g/mol. IUPAC: (14E)-11-(2-chlorophenyl)-14-[(5-methoxy-2-nitro-4-phenylmethoxyphenyl)methylidene]-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one.
Chemical Property Profile of AN-988/15131300
Property Insights of AN-988/15131300
The XLogP value of 6.4679 indicates that AN-988/15131300 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.96 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-988/15131300. Following Lipinski's Rule of Five, AN-988/15131300 has 0 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 AN-988/15131300?
The CAS number of AN-988/15131300 is 444649-80-3.
What is the molecular formula of AN-988/15131300?
The molecular formula of AN-988/15131300 is C35H26ClN3O5S.
What is the molecular weight of AN-988/15131300?
The molecular weight of AN-988/15131300 is 635.13 g/mol.
Where can I buy AN-988/15131300?
You can request a quote for AN-988/15131300 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-988/15131300?
Yes, KEHONG BIO provides custom synthesis services for AN-988/15131300 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.