l-Valine, N-(2-fluorobenzoyl)-, methyl ester
TL;DR: l-Valine, N-(2-fluorobenzoyl)-, methyl ester (CAS 1008473-91-3) is a chemical compound with molecular formula C13H16FNO3 and molecular weight 253.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(2-fluorobenzoyl)amino]-3-methylbutanoate
Also Known As: Methyl (2-fluorobenzoyl)valinate, methyl N-[(2-fluorophenyl)carbonyl]valinate, l-Valine, N-(2-fluorobenzoyl)-, methyl ester, methyl 2-[(2-fluorobenzoyl)amino]-3-methylbutanoate
| Molecular Formula | C13H16FNO3 |
|---|---|
| Molecular Weight | 253.11 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 253.11142 |
| Heavy Atoms | 18 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 1008473-91-3 |
|---|---|
| SMILES | CC(C)C(C(=O)OC)NC(=O)C1=CC=CC=C1F |
| InChIKey | RKJCUCVCGGLLRV-UHFFFAOYSA-N |
Product Overview
l-Valine, N-(2-fluorobenzoyl)-, methyl ester (CAS 1008473-91-3), with molecular formula C13H16FNO3 and molecular weight 253.11 g/mol. IUPAC: methyl 2-[(2-fluorobenzoyl)amino]-3-methylbutanoate.
Chemical Property Profile of l-Valine, N-(2-fluorobenzoyl)-, methyl ester
Property Insights of l-Valine, N-(2-fluorobenzoyl)-, methyl ester
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for l-Valine, N-(2-fluorobenzoyl)-, methyl ester. With a topological polar surface area (TPSA) of 55.4 Ų, l-Valine, N-(2-fluorobenzoyl)-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, l-Valine, N-(2-fluorobenzoyl)-, methyl ester has 1 hydrogen bond donor(s) and 4 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 l-Valine, N-(2-fluorobenzoyl)-, methyl ester?
The CAS number of l-Valine, N-(2-fluorobenzoyl)-, methyl ester is 1008473-91-3.
What is the molecular formula of l-Valine, N-(2-fluorobenzoyl)-, methyl ester?
The molecular formula of l-Valine, N-(2-fluorobenzoyl)-, methyl ester is C13H16FNO3.
What is the molecular weight of l-Valine, N-(2-fluorobenzoyl)-, methyl ester?
The molecular weight of l-Valine, N-(2-fluorobenzoyl)-, methyl ester is 253.11 g/mol.
Where can I buy l-Valine, N-(2-fluorobenzoyl)-, methyl ester?
You can request a quote for l-Valine, N-(2-fluorobenzoyl)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for l-Valine, N-(2-fluorobenzoyl)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for l-Valine, N-(2-fluorobenzoyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.