A0373/0017114
TL;DR: A0373/0017114 (CAS 339163-85-8) is a chemical compound with molecular formula C23H21N5O3S and molecular weight 447.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-amino-5-cyano-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanylmethyl]-4-pyridin-3-yl-4H-pyran-3-carboxylate
Also Known As: A0373/0017114, ethyl 6-amino-5-cyano-2-{[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]methyl}-4-(pyridin-3-yl)-4H-pyran-3-carboxylate, ethyl 6-amino-5-cyano-2-(((3-cyano-4,6-dimethylpyridin-2-yl)thio)methyl)-4-(pyridin-3-yl)-4H-pyran-3-carboxylate, ethyl 6-amino-5-cyano-2-[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylmethyl]-4-pyridin-3-yl-4H-pyran-3-carboxylate, ethyl 6-amino-5-cyano-2-{[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]methyl}-4-(3-pyridinyl)-4H-pyran-3-carboxylate
| Molecular Formula | C23H21N5O3S |
|---|---|
| Molecular Weight | 447.14 g/mol |
| LogP | 3.3823 |
| Topological Polar Surface Area | 134.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 447.1365 |
| Heavy Atoms | 32 |
| Complexity | 1192.593 |
Chemical Identifiers
| CAS Number | 339163-85-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC(=C(C1C2=CN=CC=C2)C#N)N)CSC3=C(C(=CC(=N3)C)C)C#N |
Product Overview
A0373/0017114 (CAS 339163-85-8), with molecular formula C23H21N5O3S and molecular weight 447.14 g/mol. IUPAC: ethyl 6-amino-5-cyano-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanylmethyl]-4-pyridin-3-yl-4H-pyran-3-carboxylate.
Chemical Property Profile of A0373/0017114
Property Insights of A0373/0017114
The XLogP value of 3.3823 indicates that A0373/0017114 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 134.91 Ų falls within the moderate polarity range, balancing permeability and solubility for A0373/0017114. Following Lipinski's Rule of Five, A0373/0017114 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A0373/0017114?
The CAS number of A0373/0017114 is 339163-85-8.
What is the molecular formula of A0373/0017114?
The molecular formula of A0373/0017114 is C23H21N5O3S.
What is the molecular weight of A0373/0017114?
The molecular weight of A0373/0017114 is 447.14 g/mol.
Where can I buy A0373/0017114?
You can request a quote for A0373/0017114 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A0373/0017114?
Yes, KEHONG BIO provides custom synthesis services for A0373/0017114 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.