ChemDiv1_020534
TL;DR: ChemDiv1_020534 (CAS 301322-02-1) is a chemical compound with molecular formula C22H21N3O2S and molecular weight 391.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(phenylcarbamoyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]pyridine-3-carboxamide
Also Known As: ChemDiv1_020534, AE-848/34090087, N-[3-(phenylcarbamoyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]pyridine-3-carboxamide, N-[3-(anilinocarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl]nicotinamide, N-[3-(ANILINOCARBONYL)-5,6,7,8-TETRAHYDRO-4H-CYCLOHEPTA[B]THIOPHEN-2-YL]NICOTINAMIDE
| Molecular Formula | C22H21N3O2S |
|---|---|
| Molecular Weight | 391.14 g/mol |
| LogP | 4.9166 |
| Topological Polar Surface Area | 71.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 391.13544 |
| Heavy Atoms | 28 |
| Complexity | 983.7763 |
Chemical Identifiers
| CAS Number | 301322-02-1 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC(=C2C(=O)NC3=CC=CC=C3)NC(=O)C4=CN=CC=C4 |
Product Overview
ChemDiv1_020534 (CAS 301322-02-1), with molecular formula C22H21N3O2S and molecular weight 391.14 g/mol. IUPAC: N-[3-(phenylcarbamoyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]pyridine-3-carboxamide.
Chemical Property Profile of ChemDiv1_020534
Property Insights of ChemDiv1_020534
The XLogP value of 4.9166 indicates that ChemDiv1_020534 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.09 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_020534. Following Lipinski's Rule of Five, ChemDiv1_020534 has 2 hydrogen bond donor(s) and 4 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_020534?
The CAS number of ChemDiv1_020534 is 301322-02-1.
What is the molecular formula of ChemDiv1_020534?
The molecular formula of ChemDiv1_020534 is C22H21N3O2S.
What is the molecular weight of ChemDiv1_020534?
The molecular weight of ChemDiv1_020534 is 391.14 g/mol.
Where can I buy ChemDiv1_020534?
You can request a quote for ChemDiv1_020534 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_020534?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_020534 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.