ChemDiv1_021008
TL;DR: ChemDiv1_021008 (CAS 328286-28-8) is a chemical compound with molecular formula C23H23N3O2S and molecular weight 405.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-[(2-methylphenyl)carbamoyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]pyridine-3-carboxamide
Also Known As: ChemDiv1_021008, BAS 00486739, N-[3-[(2-methylphenyl)carbamoyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]pyridine-3-carboxamide, N-(2-methylphenyl)[2-(3-pyridylcarbonylamino)(4,5,6,7,8-pentahydrocyclohepta[1 ,2-b]thiophen-3-yl)]carboxamide, N-{3-[(2-METHYLPHENYL)CARBAMOYL]-4H,5H,6H,7H,8H-CYCLOHEPTA[B]THIOPHEN-2-YL}PYRIDINE-3-CARBOXAMIDE
| Molecular Formula | C23H23N3O2S |
|---|---|
| Molecular Weight | 405.15 g/mol |
| LogP | 5.22502 |
| Topological Polar Surface Area | 71.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 405.1511 |
| Heavy Atoms | 29 |
| Complexity | 1043.5315 |
Chemical Identifiers
| CAS Number | 328286-28-8 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)C2=C(SC3=C2CCCCC3)NC(=O)C4=CN=CC=C4 |
Product Overview
ChemDiv1_021008 (CAS 328286-28-8), with molecular formula C23H23N3O2S and molecular weight 405.15 g/mol. IUPAC: N-[3-[(2-methylphenyl)carbamoyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]pyridine-3-carboxamide.
Chemical Property Profile of ChemDiv1_021008
Property Insights of ChemDiv1_021008
The XLogP value of 5.22502 indicates that ChemDiv1_021008 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_021008. Following Lipinski's Rule of Five, ChemDiv1_021008 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_021008?
The CAS number of ChemDiv1_021008 is 328286-28-8.
What is the molecular formula of ChemDiv1_021008?
The molecular formula of ChemDiv1_021008 is C23H23N3O2S.
What is the molecular weight of ChemDiv1_021008?
The molecular weight of ChemDiv1_021008 is 405.15 g/mol.
Where can I buy ChemDiv1_021008?
You can request a quote for ChemDiv1_021008 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_021008?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_021008 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.