CBKinase1_000001
TL;DR: CBKinase1_000001 (CAS 299949-56-7) is a chemical compound with molecular formula C19H15FN2O5S and molecular weight 402.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoic acid
Also Known As: CBKinase1_000001, CBKinase1_012401, BAS 00417508, AB00080016-01, 4-[3-({2-[(4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-2,5-dioxopyrrolidin-1-yl]benzoic acid
| Molecular Formula | C19H15FN2O5S |
|---|---|
| Molecular Weight | 402.07 g/mol |
| LogP | 2.5277 |
| Topological Polar Surface Area | 103.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 402.06857 |
| Heavy Atoms | 28 |
| Complexity | 930.3451 |
Chemical Identifiers
| CAS Number | 299949-56-7 |
|---|---|
| SMILES | C1C(C(=O)N(C1=O)C2=CC=C(C=C2)C(=O)O)SCC(=O)NC3=CC=C(C=C3)F |
Product Overview
CBKinase1_000001 (CAS 299949-56-7), with molecular formula C19H15FN2O5S and molecular weight 402.07 g/mol. IUPAC: 4-[3-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoic acid.
Chemical Property Profile of CBKinase1_000001
Property Insights of CBKinase1_000001
The XLogP value of 2.5277 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_000001. The TPSA of 103.78 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_000001. Following Lipinski's Rule of Five, CBKinase1_000001 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_000001?
The CAS number of CBKinase1_000001 is 299949-56-7.
What is the molecular formula of CBKinase1_000001?
The molecular formula of CBKinase1_000001 is C19H15FN2O5S.
What is the molecular weight of CBKinase1_000001?
The molecular weight of CBKinase1_000001 is 402.07 g/mol.
Where can I buy CBKinase1_000001?
You can request a quote for CBKinase1_000001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_000001?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_000001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.