BIM-0042505.P001
TL;DR: BIM-0042505.P001 (CAS 6048-57-3) is a chemical compound with molecular formula C20H21ClN2O4S and molecular weight 420.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[3-[(4-chlorophenyl)carbamoyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]amino]-4-oxobutanoic acid
Also Known As: BIM-0042505.P001, 4-[[3-[(4-chlorophenyl)carbamoyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]amino]-4-oxobutanoic acid, 3-(N-{3-[N-(4-chlorophenyl)carbamoyl]-4,5,6,7,8-pentahydrocyclohepta[2,1-d]thi ophen-2-yl}carbamoyl)propanoic acid, 4-({3-[(4-chloroanilino)carbonyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl}amino)-4-oxobutanoic acid, 4-({3-[(4-Chlorophenyl)carbamoyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl}amino)-4-oxobutanoic acid
| Molecular Formula | C20H21ClN2O4S |
|---|---|
| Molecular Weight | 420.09 g/mol |
| LogP | 4.726 |
| Topological Polar Surface Area | 95.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 420.09106 |
| Heavy Atoms | 28 |
| Complexity | 892.3558 |
Chemical Identifiers
| CAS Number | 6048-57-3 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC(=C2C(=O)NC3=CC=C(C=C3)Cl)NC(=O)CCC(=O)O |
Product Overview
BIM-0042505.P001 (CAS 6048-57-3), with molecular formula C20H21ClN2O4S and molecular weight 420.09 g/mol. IUPAC: 4-[[3-[(4-chlorophenyl)carbamoyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]amino]-4-oxobutanoic acid.
Chemical Property Profile of BIM-0042505.P001
Property Insights of BIM-0042505.P001
The XLogP value of 4.726 indicates that BIM-0042505.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0042505.P001. Following Lipinski's Rule of Five, BIM-0042505.P001 has 3 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 BIM-0042505.P001?
The CAS number of BIM-0042505.P001 is 6048-57-3.
What is the molecular formula of BIM-0042505.P001?
The molecular formula of BIM-0042505.P001 is C20H21ClN2O4S.
What is the molecular weight of BIM-0042505.P001?
The molecular weight of BIM-0042505.P001 is 420.09 g/mol.
Where can I buy BIM-0042505.P001?
You can request a quote for BIM-0042505.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0042505.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0042505.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.