BAS 00345518
TL;DR: BAS 00345518 (CAS 313705-20-3) is a chemical compound with molecular formula C22H20F3N3O4 and molecular weight 447.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2,5-dioxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidin-1-yl]benzoic acid
Also Known As: BAS 00345518, AB00076141-01, AB00076141-07, 4-(2,5-dioxo-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrrolidin-1-yl)benzoic acid, 4-[2,5-dioxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]pyrrolidin-1-yl]benzoate
| Molecular Formula | C22H20F3N3O4 |
|---|---|
| Molecular Weight | 447.14 g/mol |
| LogP | 2.8577 |
| Topological Polar Surface Area | 81.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 447.1406 |
| Heavy Atoms | 32 |
| Complexity | 1047.1317 |
Chemical Identifiers
| CAS Number | 313705-20-3 |
|---|---|
| SMILES | C1CN(CCN1C2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)O)C4=CC=CC(=C4)C(F)(F)F |
Product Overview
BAS 00345518 (CAS 313705-20-3), with molecular formula C22H20F3N3O4 and molecular weight 447.14 g/mol. IUPAC: 4-[2,5-dioxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidin-1-yl]benzoic acid.
Chemical Property Profile of BAS 00345518
Property Insights of BAS 00345518
The XLogP value of 2.8577 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00345518. The TPSA of 81.16 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00345518. Following Lipinski's Rule of Five, BAS 00345518 has 1 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 00345518?
The CAS number of BAS 00345518 is 313705-20-3.
What is the molecular formula of BAS 00345518?
The molecular formula of BAS 00345518 is C22H20F3N3O4.
What is the molecular weight of BAS 00345518?
The molecular weight of BAS 00345518 is 447.14 g/mol.
Where can I buy BAS 00345518?
You can request a quote for BAS 00345518 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00345518?
Yes, KEHONG BIO provides custom synthesis services for BAS 00345518 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.