A3594/0152337
TL;DR: A3594/0152337 (CAS 696633-32-6) is a chemical compound with molecular formula C20H17Cl2N3O2S and molecular weight 433.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-3-[(4-chlorobenzoyl)amino]-4,6-dimethyl-N-prop-2-enylthieno[2,3-b]pyridine-2-carboxamide
Also Known As: A3594/0152337, 5-chloro-3-[(4-chlorobenzoyl)amino]-4,6-dimethyl-N-prop-2-enylthieno[2,3-b]pyridine-2-carboxamide, 5-chloro-3-{[(4-chlorophenyl)carbonyl]amino}-4,6-dimethyl-N-(prop-2-en-1-yl)thieno[2,3-b]pyridine-2-carboxamide, N-ALLYL-5-CHLORO-3-[(4-CHLOROBENZOYL)AMINO]-4,6-DIMETHYLTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDE
| Molecular Formula | C20H17Cl2N3O2S |
|---|---|
| Molecular Weight | 433.04 g/mol |
| LogP | 5.38804 |
| Topological Polar Surface Area | 71.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 433.04184 |
| Heavy Atoms | 28 |
| Complexity | 1091.2642 |
Chemical Identifiers
| CAS Number | 696633-32-6 |
|---|---|
| SMILES | CC1=C2C(=C(SC2=NC(=C1Cl)C)C(=O)NCC=C)NC(=O)C3=CC=C(C=C3)Cl |
Product Overview
A3594/0152337 (CAS 696633-32-6), with molecular formula C20H17Cl2N3O2S and molecular weight 433.04 g/mol. IUPAC: 5-chloro-3-[(4-chlorobenzoyl)amino]-4,6-dimethyl-N-prop-2-enylthieno[2,3-b]pyridine-2-carboxamide.
Chemical Property Profile of A3594/0152337
Property Insights of A3594/0152337
The XLogP value of 5.38804 indicates that A3594/0152337 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.09 Ų falls within the moderate polarity range, balancing permeability and solubility for A3594/0152337. Following Lipinski's Rule of Five, A3594/0152337 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3594/0152337?
The CAS number of A3594/0152337 is 696633-32-6.
What is the molecular formula of A3594/0152337?
The molecular formula of A3594/0152337 is C20H17Cl2N3O2S.
What is the molecular weight of A3594/0152337?
The molecular weight of A3594/0152337 is 433.04 g/mol.
Where can I buy A3594/0152337?
You can request a quote for A3594/0152337 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3594/0152337?
Yes, KEHONG BIO provides custom synthesis services for A3594/0152337 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.