ChemDiv1_000865
TL;DR: ChemDiv1_000865 (CAS 314048-29-8) is a chemical compound with molecular formula C21H21N3O4S and molecular weight 411.13 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-ethoxychromene-3-carboxamide
Also Known As: ChemDiv1_000865, (2Z)-2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-8-ethoxy-2H-chromene-3-carboxamide, 2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-8-ethoxychromene-3-carboxamide
| Molecular Formula | C21H21N3O4S |
|---|---|
| Molecular Weight | 411.13 g/mol |
| LogP | 3.202 |
| Topological Polar Surface Area | 120.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.12527 |
| Heavy Atoms | 29 |
| Complexity | 1192.5897 |
Chemical Identifiers
| CAS Number | 314048-29-8 |
|---|---|
| SMILES | CCOC1=CC=CC2=C1OC(=NC3=C(C4=C(S3)CCCC4)C(=O)N)C(=C2)C(=O)N |
Product Overview
ChemDiv1_000865 (CAS 314048-29-8), with molecular formula C21H21N3O4S and molecular weight 411.13 g/mol. IUPAC: 2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-8-ethoxychromene-3-carboxamide.
Chemical Property Profile of ChemDiv1_000865
Property Insights of ChemDiv1_000865
The XLogP value of 3.202 indicates that ChemDiv1_000865 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.91 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_000865. Following Lipinski's Rule of Five, ChemDiv1_000865 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_000865?
The CAS number of ChemDiv1_000865 is 314048-29-8.
What is the molecular formula of ChemDiv1_000865?
The molecular formula of ChemDiv1_000865 is C21H21N3O4S.
What is the molecular weight of ChemDiv1_000865?
The molecular weight of ChemDiv1_000865 is 411.13 g/mol.
Where can I buy ChemDiv1_000865?
You can request a quote for ChemDiv1_000865 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_000865?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_000865 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.