BAS 00635270
TL;DR: BAS 00635270 (CAS 328070-19-5) is a chemical compound with molecular formula C29H22ClN3O3S and molecular weight 527.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-[[4-(3-chlorophenyl)-3-cyano-6-methyl-5-(phenylcarbamoyl)-2-pyridinyl]sulfanyl]acetate
Also Known As: BAS 00635270, AH-034/34959027, benzyl {[4-(3-chlorophenyl)-3-cyano-6-methyl-5-(phenylcarbamoyl)pyridin-2-yl]sulfanyl}acetate, benzyl {[5-(anilinocarbonyl)-4-(3-chlorophenyl)-3-cyano-6-methyl-2-pyridinyl]sulfanyl}acetate, benzyl 2-((4-(3-chlorophenyl)-3-cyano-6-methyl-5-(phenylcarbamoyl)pyridin-2-yl)thio)acetate
| Molecular Formula | C29H22ClN3O3S |
|---|---|
| Molecular Weight | 527.11 g/mol |
| LogP | 6.6699 |
| Topological Polar Surface Area | 92.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 527.10706 |
| Heavy Atoms | 37 |
| Complexity | 1471.4746 |
Chemical Identifiers
| CAS Number | 328070-19-5 |
|---|---|
| SMILES | CC1=C(C(=C(C(=N1)SCC(=O)OCC2=CC=CC=C2)C#N)C3=CC(=CC=C3)Cl)C(=O)NC4=CC=CC=C4 |
Product Overview
BAS 00635270 (CAS 328070-19-5), with molecular formula C29H22ClN3O3S and molecular weight 527.11 g/mol. IUPAC: benzyl 2-[[4-(3-chlorophenyl)-3-cyano-6-methyl-5-(phenylcarbamoyl)-2-pyridinyl]sulfanyl]acetate.
Chemical Property Profile of BAS 00635270
Property Insights of BAS 00635270
The XLogP value of 6.6699 indicates that BAS 00635270 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.08 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00635270. Following Lipinski's Rule of Five, BAS 00635270 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 BAS 00635270?
The CAS number of BAS 00635270 is 328070-19-5.
What is the molecular formula of BAS 00635270?
The molecular formula of BAS 00635270 is C29H22ClN3O3S.
What is the molecular weight of BAS 00635270?
The molecular weight of BAS 00635270 is 527.11 g/mol.
Where can I buy BAS 00635270?
You can request a quote for BAS 00635270 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00635270?
Yes, KEHONG BIO provides custom synthesis services for BAS 00635270 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.