CBKinase1_002703
TL;DR: CBKinase1_002703 (CAS 491832-06-5) is a chemical compound with molecular formula C17H19NO5S and molecular weight 349.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Also Known As: CBKinase1_002703, CBKinase1_015103, BRD-A27682972-001-01-3, 3-{[3-(methoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 2-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid
| Molecular Formula | C17H19NO5S |
|---|---|
| Molecular Weight | 349.10 g/mol |
| LogP | 2.61294 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 349.0984 |
| Heavy Atoms | 24 |
| Complexity | 750.4072 |
Chemical Identifiers
| CAS Number | 491832-06-5 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC)NC(=O)C2C3CC(C2C(=O)O)C=C3)C |
Product Overview
CBKinase1_002703 (CAS 491832-06-5), with molecular formula C17H19NO5S and molecular weight 349.10 g/mol. IUPAC: 3-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid.
Chemical Property Profile of CBKinase1_002703
Property Insights of CBKinase1_002703
The XLogP value of 2.61294 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_002703. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_002703. Following Lipinski's Rule of Five, CBKinase1_002703 has 2 hydrogen bond donor(s) and 5 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_002703?
The CAS number of CBKinase1_002703 is 491832-06-5.
What is the molecular formula of CBKinase1_002703?
The molecular formula of CBKinase1_002703 is C17H19NO5S.
What is the molecular weight of CBKinase1_002703?
The molecular weight of CBKinase1_002703 is 349.10 g/mol.
Where can I buy CBKinase1_002703?
You can request a quote for CBKinase1_002703 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_002703?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_002703 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.