ChemDiv1_027816
TL;DR: ChemDiv1_027816 (CAS 309920-48-7) is a chemical compound with molecular formula C25H25FN2O3S and molecular weight 452.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-ethoxyphenyl)-2-[(3-fluorobenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
Also Known As: ChemDiv1_027816, BIM-0010869.P001, N-(2-ethoxyphenyl)-2-[(3-fluorobenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide, A2259/0095120, N-(2-ETHOXYPHENYL)-2-(3-FLUOROBENZAMIDO)-4H,5H,6H,7H,8H-CYCLOHEPTA[B]THIOPHENE-3-CARBOXAMIDE
| Molecular Formula | C25H25FN2O3S |
|---|---|
| Molecular Weight | 452.16 g/mol |
| LogP | 6.0594 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 452.15698 |
| Heavy Atoms | 32 |
| Complexity | 1141.9657 |
Chemical Identifiers
| CAS Number | 309920-48-7 |
|---|---|
| SMILES | CCOC1=CC=CC=C1NC(=O)C2=C(SC3=C2CCCCC3)NC(=O)C4=CC(=CC=C4)F |
Product Overview
ChemDiv1_027816 (CAS 309920-48-7), with molecular formula C25H25FN2O3S and molecular weight 452.16 g/mol. IUPAC: N-(2-ethoxyphenyl)-2-[(3-fluorobenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide.
Chemical Property Profile of ChemDiv1_027816
Property Insights of ChemDiv1_027816
The XLogP value of 6.0594 indicates that ChemDiv1_027816 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_027816. Following Lipinski's Rule of Five, ChemDiv1_027816 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_027816?
The CAS number of ChemDiv1_027816 is 309920-48-7.
What is the molecular formula of ChemDiv1_027816?
The molecular formula of ChemDiv1_027816 is C25H25FN2O3S.
What is the molecular weight of ChemDiv1_027816?
The molecular weight of ChemDiv1_027816 is 452.16 g/mol.
Where can I buy ChemDiv1_027816?
You can request a quote for ChemDiv1_027816 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_027816?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_027816 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.