ChemDiv1_000821
TL;DR: ChemDiv1_000821 (CAS 325799-95-9) is a chemical compound with molecular formula C20H19N3O4S and molecular weight 397.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-8-methoxychromene-3-carboxamide
Also Known As: ChemDiv1_000821, (2Z)-2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-8-methoxy-2H-chromene-3-carboxamide, 2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-8-methoxychromene-3-carboxamide
| Molecular Formula | C20H19N3O4S |
|---|---|
| Molecular Weight | 397.11 g/mol |
| LogP | 2.8119 |
| Topological Polar Surface Area | 120.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 397.10962 |
| Heavy Atoms | 28 |
| Complexity | 1176.143 |
Chemical Identifiers
| CAS Number | 325799-95-9 |
|---|---|
| SMILES | COC1=CC=CC2=C1OC(=NC3=C(C4=C(S3)CCCC4)C(=O)N)C(=C2)C(=O)N |
Product Overview
ChemDiv1_000821 (CAS 325799-95-9), with molecular formula C20H19N3O4S and molecular weight 397.11 g/mol. IUPAC: 2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-8-methoxychromene-3-carboxamide.
Chemical Property Profile of ChemDiv1_000821
Property Insights of ChemDiv1_000821
The XLogP value of 2.8119 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_000821. The TPSA of 120.91 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_000821. Following Lipinski's Rule of Five, ChemDiv1_000821 has 2 hydrogen bond donor(s) and 6 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 ChemDiv1_000821?
The CAS number of ChemDiv1_000821 is 325799-95-9.
What is the molecular formula of ChemDiv1_000821?
The molecular formula of ChemDiv1_000821 is C20H19N3O4S.
What is the molecular weight of ChemDiv1_000821?
The molecular weight of ChemDiv1_000821 is 397.11 g/mol.
Where can I buy ChemDiv1_000821?
You can request a quote for ChemDiv1_000821 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_000821?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_000821 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.