ChemDiv1_020788
TL;DR: ChemDiv1_020788 (CAS 330188-64-2) is a chemical compound with molecular formula C25H26N2O3S and molecular weight 434.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzamido-N-(4-ethoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
Also Known As: ChemDiv1_020788, BAS 00486754, 2-(Benzoylamino)-N-(4-ethoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide, 2-benzamido-N-(4-ethoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide, N-(4-ethoxyphenyl)[2-(phenylcarbonylamino)(4,5,6,7,8-pentahydrocyclohepta[1,2- b]thiophen-3-yl)]carboxamide
| Molecular Formula | C25H26N2O3S |
|---|---|
| Molecular Weight | 434.17 g/mol |
| LogP | 5.9203 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 434.1664 |
| Heavy Atoms | 31 |
| Complexity | 1058.3761 |
Chemical Identifiers
| CAS Number | 330188-64-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCCCC3)NC(=O)C4=CC=CC=C4 |
Product Overview
ChemDiv1_020788 (CAS 330188-64-2), with molecular formula C25H26N2O3S and molecular weight 434.17 g/mol. IUPAC: 2-benzamido-N-(4-ethoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide.
Chemical Property Profile of ChemDiv1_020788
Property Insights of ChemDiv1_020788
The XLogP value of 5.9203 indicates that ChemDiv1_020788 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_020788. Following Lipinski's Rule of Five, ChemDiv1_020788 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_020788?
The CAS number of ChemDiv1_020788 is 330188-64-2.
What is the molecular formula of ChemDiv1_020788?
The molecular formula of ChemDiv1_020788 is C25H26N2O3S.
What is the molecular weight of ChemDiv1_020788?
The molecular weight of ChemDiv1_020788 is 434.17 g/mol.
Where can I buy ChemDiv1_020788?
You can request a quote for ChemDiv1_020788 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_020788?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_020788 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.