CBKinase1_003761
TL;DR: CBKinase1_003761 (CAS 693270-57-4) is a chemical compound with molecular formula C21H18ClNO4 and molecular weight 383.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-(4-chlorophenyl)-1-(4-methoxycarbonylphenyl)pyrrol-2-yl]propanoic acid
Also Known As: CBKinase1_003761, CBKinase1_016161, BRD-K63803046-001-01-0, 3-[5-(4-chlorophenyl)-1-(4-methoxycarbonylphenyl)pyrrol-2-yl]propanoic Acid, 3-{5-(4-chlorophenyl)-1-[4-(methoxycarbonyl)phenyl]-1H-pyrrol-2-yl}propanoic acid
| Molecular Formula | C21H18ClNO4 |
|---|---|
| Molecular Weight | 383.09 g/mol |
| LogP | 4.6015 |
| Topological Polar Surface Area | 68.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 383.09244 |
| Heavy Atoms | 27 |
| Complexity | 958.8516 |
Chemical Identifiers
| CAS Number | 693270-57-4 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)N2C(=CC=C2C3=CC=C(C=C3)Cl)CCC(=O)O |
Product Overview
CBKinase1_003761 (CAS 693270-57-4), with molecular formula C21H18ClNO4 and molecular weight 383.09 g/mol. IUPAC: 3-[5-(4-chlorophenyl)-1-(4-methoxycarbonylphenyl)pyrrol-2-yl]propanoic acid.
Chemical Property Profile of CBKinase1_003761
Property Insights of CBKinase1_003761
The XLogP value of 4.6015 indicates that CBKinase1_003761 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.53 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_003761. Following Lipinski's Rule of Five, CBKinase1_003761 has 1 hydrogen bond donor(s) and 3 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 CBKinase1_003761?
The CAS number of CBKinase1_003761 is 693270-57-4.
What is the molecular formula of CBKinase1_003761?
The molecular formula of CBKinase1_003761 is C21H18ClNO4.
What is the molecular weight of CBKinase1_003761?
The molecular weight of CBKinase1_003761 is 383.09 g/mol.
Where can I buy CBKinase1_003761?
You can request a quote for CBKinase1_003761 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_003761?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_003761 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.