A3757/0159307
TL;DR: A3757/0159307 (CAS 727673-92-9) is a chemical compound with molecular formula C24H22ClN5O2S and molecular weight 479.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chlorophenyl)-2-[(11,11-dimethyl-7-phenyl-12-oxa-3,4,6,8-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)sulfanyl]acetamide
Also Known As: A3757/0159307, N-(4-chlorophenyl)-2-[(8,8-dimethyl-5-phenyl-7,10-dihydro-8H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]acetamide, N-(4-chlorophenyl)-2-((8,8-dimethyl-5-phenyl-8,10-dihydro-7H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)acetamide
| Molecular Formula | C24H22ClN5O2S |
|---|---|
| Molecular Weight | 479.12 g/mol |
| LogP | 5.0268 |
| Topological Polar Surface Area | 81.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 479.1183 |
| Heavy Atoms | 33 |
| Complexity | 1322.4496 |
Chemical Identifiers
| CAS Number | 727673-92-9 |
|---|---|
| SMILES | CC1(CC2=C(CO1)C3=NN=C(N3C(=N2)C4=CC=CC=C4)SCC(=O)NC5=CC=C(C=C5)Cl)C |
Product Overview
A3757/0159307 (CAS 727673-92-9), with molecular formula C24H22ClN5O2S and molecular weight 479.12 g/mol. IUPAC: N-(4-chlorophenyl)-2-[(11,11-dimethyl-7-phenyl-12-oxa-3,4,6,8-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)sulfanyl]acetamide.
Chemical Property Profile of A3757/0159307
Property Insights of A3757/0159307
The XLogP value of 5.0268 indicates that A3757/0159307 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.41 Ų falls within the moderate polarity range, balancing permeability and solubility for A3757/0159307. Following Lipinski's Rule of Five, A3757/0159307 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 A3757/0159307?
The CAS number of A3757/0159307 is 727673-92-9.
What is the molecular formula of A3757/0159307?
The molecular formula of A3757/0159307 is C24H22ClN5O2S.
What is the molecular weight of A3757/0159307?
The molecular weight of A3757/0159307 is 479.12 g/mol.
Where can I buy A3757/0159307?
You can request a quote for A3757/0159307 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3757/0159307?
Yes, KEHONG BIO provides custom synthesis services for A3757/0159307 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.