Valine, N-(2-bromobenzoyl)-, methyl ester
TL;DR: Valine, N-(2-bromobenzoyl)-, methyl ester (CAS 1397003-17-6) is a chemical compound with molecular formula C13H16BrNO3 and molecular weight 313.03137 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[(2-bromobenzoyl)amino]-3-methylbutanoate
Also Known As: methyl N-(2-bromobenzoyl)valinate, Valine, N-(2-bromobenzoyl)-, methyl ester, BIM-0014834.P001, methyl 2-[(2-bromobenzoyl)amino]-3-methylbutanoate, methyl 2-[(2-bromophenyl)formamido]-3-methylbutanoate
Technical Specifications
| Molecular Formula | C13H16BrNO3 |
| Molecular Weight | 313.03137 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 313.03137 Da |
| Heavy Atoms | 18 |
| Complexity | 307.0 |
| SMILES | CC(C)C(C(=O)OC)NC(=O)C1=CC=CC=C1Br |
| InChIKey | XXIFWBCAJWLQQY-UHFFFAOYSA-N |
Chemical Property Profile of Valine, N-(2-bromobenzoyl)-, methyl ester
Property Insights of Valine, N-(2-bromobenzoyl)-, methyl ester
The XLogP value of 3.2 indicates that Valine, N-(2-bromobenzoyl)-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, Valine, N-(2-bromobenzoyl)-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Valine, N-(2-bromobenzoyl)-, methyl ester has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Valine, N-(2-bromobenzoyl)-, methyl ester?
The CAS number of Valine, N-(2-bromobenzoyl)-, methyl ester is 1397003-17-6.
What is the molecular formula of Valine, N-(2-bromobenzoyl)-, methyl ester?
The molecular formula of Valine, N-(2-bromobenzoyl)-, methyl ester is C13H16BrNO3.
What is the molecular weight of Valine, N-(2-bromobenzoyl)-, methyl ester?
The molecular weight of Valine, N-(2-bromobenzoyl)-, methyl ester is 313.03137 g/mol.
Where can I buy Valine, N-(2-bromobenzoyl)-, methyl ester?
You can request a quote for Valine, N-(2-bromobenzoyl)-, methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Valine, N-(2-bromobenzoyl)-, methyl ester?
Yes, CoreyChem provides custom synthesis services for Valine, N-(2-bromobenzoyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.