A0369/0017031
TL;DR: A0369/0017031 (CAS 339163-48-3) is a chemical compound with molecular formula C27H25ClN4O3S and molecular weight 520.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-amino-4-(2-chlorophenyl)-5-cyano-2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanylmethyl]-4H-pyran-3-carboxylate
Also Known As: A0369/0017031, ethyl 6-amino-4-(2-chlorophenyl)-5-cyano-2-(((3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)thio)methyl)-4H-pyran-3-carboxylate, ethyl 6-amino-4-(2-chlorophenyl)-5-cyano-2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanylmethyl]-4H-pyran-3-carboxylate, ethyl 6-amino-4-(2-chlorophenyl)-5-cyano-2-{[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]methyl}-4H-pyran-3-carboxylate, ETHYL 6-AMINO-4-(2-CHLOROPHENYL)-5-CYANO-2-[({3-CYANO-5H,6H,7H,8H,9H-CYCLOHEPTA[B]PYRIDIN-2-YL}SULFANYL)METHYL]-4H-PYRAN-3-CARBOXYLATE
| Molecular Formula | C27H25ClN4O3S |
|---|---|
| Molecular Weight | 520.13 g/mol |
| LogP | 5.29276 |
| Topological Polar Surface Area | 122.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 520.1336 |
| Heavy Atoms | 36 |
| Complexity | 1339.5046 |
Chemical Identifiers
| CAS Number | 339163-48-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC(=C(C1C2=CC=CC=C2Cl)C#N)N)CSC3=C(C=C4CCCCCC4=N3)C#N |
Product Overview
A0369/0017031 (CAS 339163-48-3), with molecular formula C27H25ClN4O3S and molecular weight 520.13 g/mol. IUPAC: ethyl 6-amino-4-(2-chlorophenyl)-5-cyano-2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanylmethyl]-4H-pyran-3-carboxylate.
Chemical Property Profile of A0369/0017031
Property Insights of A0369/0017031
The XLogP value of 5.29276 indicates that A0369/0017031 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.02 Ų falls within the moderate polarity range, balancing permeability and solubility for A0369/0017031. Following Lipinski's Rule of Five, A0369/0017031 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 A0369/0017031?
The CAS number of A0369/0017031 is 339163-48-3.
What is the molecular formula of A0369/0017031?
The molecular formula of A0369/0017031 is C27H25ClN4O3S.
What is the molecular weight of A0369/0017031?
The molecular weight of A0369/0017031 is 520.13 g/mol.
Where can I buy A0369/0017031?
You can request a quote for A0369/0017031 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A0369/0017031?
Yes, KEHONG BIO provides custom synthesis services for A0369/0017031 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.