C28H25ClN4O4S
TL;DR: C28H25ClN4O4S (CAS 799831-01-9) is a chemical compound with molecular formula C28H25ClN4O4S and molecular weight 548.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-9-(3,4-dimethoxyphenyl)-11-(4-methoxyphenyl)-14-methylsulfanyl-8-oxa-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene
Also Known As: 2-chloro-6-(3,4-dimethoxyphenyl)-7-(4-methoxyphenyl)-10-(methylsulfanyl)-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine, 2-chloro-6-(3,4-dimethoxyphenyl)-7-(4-methoxyphenyl)-10-(methylthio)-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine
| Molecular Formula | C28H25ClN4O4S |
|---|---|
| Molecular Weight | 548.13 g/mol |
| LogP | 6.2391 |
| Topological Polar Surface Area | 79.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 548.1285 |
| Heavy Atoms | 38 |
| Complexity | 1553.2014 |
Chemical Identifiers
| CAS Number | 799831-01-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2C3=C(C4=C(C=CC(=C4)Cl)OC3C5=CC(=C(C=C5)OC)OC)NC6=NC(=NN26)SC |
Product Overview
C28H25ClN4O4S (CAS 799831-01-9), with molecular formula C28H25ClN4O4S and molecular weight 548.13 g/mol. IUPAC: 4-chloro-9-(3,4-dimethoxyphenyl)-11-(4-methoxyphenyl)-14-methylsulfanyl-8-oxa-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene.
Chemical Property Profile of C28H25ClN4O4S
Property Insights of C28H25ClN4O4S
The XLogP value of 6.2391 indicates that C28H25ClN4O4S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.66 Ų falls within the moderate polarity range, balancing permeability and solubility for C28H25ClN4O4S. Following Lipinski's Rule of Five, C28H25ClN4O4S has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C28H25ClN4O4S?
The CAS number of C28H25ClN4O4S is 799831-01-9.
What is the molecular formula of C28H25ClN4O4S?
The molecular formula of C28H25ClN4O4S is C28H25ClN4O4S.
What is the molecular weight of C28H25ClN4O4S?
The molecular weight of C28H25ClN4O4S is 548.13 g/mol.
Where can I buy C28H25ClN4O4S?
You can request a quote for C28H25ClN4O4S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C28H25ClN4O4S?
Yes, KEHONG BIO provides custom synthesis services for C28H25ClN4O4S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.