CBKinase1_004726
TL;DR: CBKinase1_004726 (CAS 663200-38-2) is a chemical compound with molecular formula C20H21N3O3S and molecular weight 383.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
Also Known As: CBKinase1_004726, CBKinase1_017126, BAS 06761115, AM-879/42158597, N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
| Molecular Formula | C20H21N3O3S |
|---|---|
| Molecular Weight | 383.13 g/mol |
| LogP | 2.7174 |
| Topological Polar Surface Area | 92.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 383.13037 |
| Heavy Atoms | 27 |
| Complexity | 906.6958 |
Chemical Identifiers
| CAS Number | 663200-38-2 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)C3CC(=O)N(C3)C4=CC=CC=C4)C(=O)N |
Product Overview
CBKinase1_004726 (CAS 663200-38-2), with molecular formula C20H21N3O3S and molecular weight 383.13 g/mol. IUPAC: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide.
Chemical Property Profile of CBKinase1_004726
Property Insights of CBKinase1_004726
The XLogP value of 2.7174 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_004726. The TPSA of 92.5 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_004726. Following Lipinski's Rule of Five, CBKinase1_004726 has 2 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 CBKinase1_004726?
The CAS number of CBKinase1_004726 is 663200-38-2.
What is the molecular formula of CBKinase1_004726?
The molecular formula of CBKinase1_004726 is C20H21N3O3S.
What is the molecular weight of CBKinase1_004726?
The molecular weight of CBKinase1_004726 is 383.13 g/mol.
Where can I buy CBKinase1_004726?
You can request a quote for CBKinase1_004726 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004726?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004726 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.