C27H24ClN3O5S
TL;DR: C27H24ClN3O5S (CAS 577697-32-6) is a chemical compound with molecular formula C27H24ClN3O5S and molecular weight 537.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-acetylphenyl)-2-[4-(4-chlorophenyl)-12,12-dimethyl-3,5-dioxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-6-yl]acetamide
Also Known As: N-(4-acetylphenyl)-2-(3-(4-chlorophenyl)-6,6-dimethyl-2,4-dioxo-2,3,4,5,6,8-hexahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-1-yl)acetamide, N-(4-acetylphenyl)-2-[3-(4-chlorophenyl)-6,6-dimethyl-2,4-dioxo-3,4,5,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-1(6H)-yl]acetamide
| Molecular Formula | C27H24ClN3O5S |
|---|---|
| Molecular Weight | 537.11 g/mol |
| LogP | 4.5599 |
| Topological Polar Surface Area | 99.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 537.11255 |
| Heavy Atoms | 37 |
| Complexity | 1664.1678 |
Chemical Identifiers
| CAS Number | 577697-32-6 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)NC(=O)CN2C3=C(C4=C(S3)COC(C4)(C)C)C(=O)N(C2=O)C5=CC=C(C=C5)Cl |
Product Overview
C27H24ClN3O5S (CAS 577697-32-6), with molecular formula C27H24ClN3O5S and molecular weight 537.11 g/mol. IUPAC: N-(4-acetylphenyl)-2-[4-(4-chlorophenyl)-12,12-dimethyl-3,5-dioxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-6-yl]acetamide.
Chemical Property Profile of C27H24ClN3O5S
Property Insights of C27H24ClN3O5S
The XLogP value of 4.5599 indicates that C27H24ClN3O5S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.4 Ų falls within the moderate polarity range, balancing permeability and solubility for C27H24ClN3O5S. Following Lipinski's Rule of Five, C27H24ClN3O5S has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C27H24ClN3O5S?
The CAS number of C27H24ClN3O5S is 577697-32-6.
What is the molecular formula of C27H24ClN3O5S?
The molecular formula of C27H24ClN3O5S is C27H24ClN3O5S.
What is the molecular weight of C27H24ClN3O5S?
The molecular weight of C27H24ClN3O5S is 537.11 g/mol.
Where can I buy C27H24ClN3O5S?
You can request a quote for C27H24ClN3O5S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C27H24ClN3O5S?
Yes, KEHONG BIO provides custom synthesis services for C27H24ClN3O5S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.