A2790/0117870
TL;DR: A2790/0117870 (CAS 442658-44-8) is a chemical compound with molecular formula C25H25ClN2O2S and molecular weight 452.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chlorobenzoyl)amino]-N-(2,6-dimethylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
Also Known As: A2790/0117870, 2-[(4-chlorobenzoyl)amino]-N-(2,6-dimethylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide, 2-(4-CHLOROBENZAMIDO)-N-(2,6-DIMETHYLPHENYL)-4H,5H,6H,7H,8H-CYCLOHEPTA[B]THIOPHENE-3-CARBOXAMIDE, 2-{[(4-chlorophenyl)carbonyl]amino}-N-(2,6-dimethylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide, N-(2,6-dimethylphenyl){2-[(4-chlorophenyl)carbonylamino](4,5,6,7,8-pentahydroc yclohepta[1,2-b]thiophen-3-yl)}carboxamide
| Molecular Formula | C25H25ClN2O2S |
|---|---|
| Molecular Weight | 452.13 g/mol |
| LogP | 6.79184 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 452.13254 |
| Heavy Atoms | 31 |
| Complexity | 1114.919 |
Chemical Identifiers
| CAS Number | 442658-44-8 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)NC(=O)C2=C(SC3=C2CCCCC3)NC(=O)C4=CC=C(C=C4)Cl |
Product Overview
A2790/0117870 (CAS 442658-44-8), with molecular formula C25H25ClN2O2S and molecular weight 452.13 g/mol. IUPAC: 2-[(4-chlorobenzoyl)amino]-N-(2,6-dimethylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide.
Chemical Property Profile of A2790/0117870
Property Insights of A2790/0117870
The XLogP value of 6.79184 indicates that A2790/0117870 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.2 Ų, A2790/0117870 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A2790/0117870 has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A2790/0117870?
The CAS number of A2790/0117870 is 442658-44-8.
What is the molecular formula of A2790/0117870?
The molecular formula of A2790/0117870 is C25H25ClN2O2S.
What is the molecular weight of A2790/0117870?
The molecular weight of A2790/0117870 is 452.13 g/mol.
Where can I buy A2790/0117870?
You can request a quote for A2790/0117870 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2790/0117870?
Yes, KEHONG BIO provides custom synthesis services for A2790/0117870 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.