BAS 00702609
TL;DR: BAS 00702609 (CAS 313378-87-9) 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-(3-fluoroanilino)-2-oxoethyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoic acid
Also Known As: BAS 00702609, A1472/0064955, 4-(3-((2-((3-fluorophenyl)amino)-2-oxoethyl)thio)-2,5-dioxopyrrolidin-1-yl)benzoic acid, 4-(3-{[2-(3-fluoroanilino)-2-oxoethyl]sulfanyl}-2,5-dioxo-1-pyrrolidinyl)benzoic acid, 4-[3-[2-(3-fluoroanilino)-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 | 947.5951 |
Chemical Identifiers
| CAS Number | 313378-87-9 |
|---|---|
| SMILES | C1C(C(=O)N(C1=O)C2=CC=C(C=C2)C(=O)O)SCC(=O)NC3=CC(=CC=C3)F |
Product Overview
BAS 00702609 (CAS 313378-87-9), with molecular formula C19H15FN2O5S and molecular weight 402.07 g/mol. IUPAC: 4-[3-[2-(3-fluoroanilino)-2-oxoethyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoic acid.
Chemical Property Profile of BAS 00702609
Property Insights of BAS 00702609
The XLogP value of 2.5277 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00702609. The TPSA of 103.78 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00702609. Following Lipinski's Rule of Five, BAS 00702609 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 BAS 00702609?
The CAS number of BAS 00702609 is 313378-87-9.
What is the molecular formula of BAS 00702609?
The molecular formula of BAS 00702609 is C19H15FN2O5S.
What is the molecular weight of BAS 00702609?
The molecular weight of BAS 00702609 is 402.07 g/mol.
Where can I buy BAS 00702609?
You can request a quote for BAS 00702609 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00702609?
Yes, KEHONG BIO provides custom synthesis services for BAS 00702609 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.