CBKinase1_002742
TL;DR: CBKinase1_002742 (CAS 690989-72-1) is a chemical compound with molecular formula C22H15N3O5 and molecular weight 401.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[1,3-dioxo-2-(pyridin-3-ylmethyl)isoindole-5-carbonyl]amino]benzoic acid
Also Known As: CBKinase1_002742, CBKinase1_015142, BRD-K85209392-001-01-4, 3-[[1,3-dioxo-2-(pyridin-3-ylmethyl)isoindole-5-carbonyl]amino]benzoic Acid, 3-(1,3-dioxo-2-(pyridin-3-ylmethyl)isoindoline-5-carboxamido)benzoic acid
| Molecular Formula | C22H15N3O5 |
|---|---|
| Molecular Weight | 401.10 g/mol |
| LogP | 2.8283 |
| Topological Polar Surface Area | 116.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 401.10117 |
| Heavy Atoms | 30 |
| Complexity | 1190.3872 |
Chemical Identifiers
| CAS Number | 690989-72-1 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CN=CC=C4)C(=O)O |
Product Overview
CBKinase1_002742 (CAS 690989-72-1), with molecular formula C22H15N3O5 and molecular weight 401.10 g/mol. IUPAC: 3-[[1,3-dioxo-2-(pyridin-3-ylmethyl)isoindole-5-carbonyl]amino]benzoic acid.
Chemical Property Profile of CBKinase1_002742
Property Insights of CBKinase1_002742
The XLogP value of 2.8283 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_002742. The TPSA of 116.67 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_002742. Following Lipinski's Rule of Five, CBKinase1_002742 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_002742?
The CAS number of CBKinase1_002742 is 690989-72-1.
What is the molecular formula of CBKinase1_002742?
The molecular formula of CBKinase1_002742 is C22H15N3O5.
What is the molecular weight of CBKinase1_002742?
The molecular weight of CBKinase1_002742 is 401.10 g/mol.
Where can I buy CBKinase1_002742?
You can request a quote for CBKinase1_002742 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_002742?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_002742 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.