ChemDiv1_010587
TL;DR: ChemDiv1_010587 (CAS 328282-22-0) is a chemical compound with molecular formula C27H22N4O4S2 and molecular weight 530.11 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-6-thiophen-2-yl-2-pyridinyl)sulfanylmethyl]-4-(2-methoxyphenyl)-4H-pyran-3-carboxylate
Also Known As: ChemDiv1_010587, A0531/0024567, ethyl 6-amino-5-cyano-2-({[3-cyano-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}methyl)-4-(2-methoxyphenyl)-4H-pyran-3-carboxylate, ethyl 6-amino-5-cyano-2-(((3-cyano-6-(thiophen-2-yl)pyridin-2-yl)thio)methyl)-4-(2-methoxyphenyl)-4H-pyran-3-carboxylate, ethyl 6-amino-5-cyano-2-[(3-cyano-6-(2-thienyl)(2-pyridylthio))methyl]-4-(2-me thoxyphenyl)-4H-pyran-3-carboxylate
| Molecular Formula | C27H22N4O4S2 |
|---|---|
| Molecular Weight | 530.11 g/mol |
| LogP | 5.10756 |
| Topological Polar Surface Area | 131.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 530.1083 |
| Heavy Atoms | 37 |
| Complexity | 1466.252 |
Chemical Identifiers
| CAS Number | 328282-22-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC(=C(C1C2=CC=CC=C2OC)C#N)N)CSC3=C(C=CC(=N3)C4=CC=CS4)C#N |
Product Overview
ChemDiv1_010587 (CAS 328282-22-0), with molecular formula C27H22N4O4S2 and molecular weight 530.11 g/mol. IUPAC: ethyl 6-amino-5-cyano-2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanylmethyl]-4-(2-methoxyphenyl)-4H-pyran-3-carboxylate.
Chemical Property Profile of ChemDiv1_010587
Property Insights of ChemDiv1_010587
The XLogP value of 5.10756 indicates that ChemDiv1_010587 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.25 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_010587. Following Lipinski's Rule of Five, ChemDiv1_010587 has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_010587?
The CAS number of ChemDiv1_010587 is 328282-22-0.
What is the molecular formula of ChemDiv1_010587?
The molecular formula of ChemDiv1_010587 is C27H22N4O4S2.
What is the molecular weight of ChemDiv1_010587?
The molecular weight of ChemDiv1_010587 is 530.11 g/mol.
Where can I buy ChemDiv1_010587?
You can request a quote for ChemDiv1_010587 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_010587?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_010587 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.