![methyl N-[(3,4-dichlorophenyl)carbamoyl]-L-valinate structure](/static/products/117/1173682-55-7.png)
methyl N-[(3,4-dichlorophenyl)carbamoyl]-L-valinate
TL;DR: methyl N-[(3,4-dichlorophenyl)carbamoyl]-L-valinate (CAS 1173682-55-7) is a chemical compound with molecular formula C13H16Cl2N2O3 and molecular weight 318.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-2-[(3,4-dichlorophenyl)carbamoylamino]-3-methylbutanoate
Also Known As: methyl N-[(3,4-dichlorophenyl)carbamoyl]-L-valinate, (S)-methyl 2-(3-(3,4-dichlorophenyl)ureido)-3-methylbutanoate, methyl (2S)-2-[(3,4-dichlorophenyl)carbamoylamino]-3-methylbutanoate
| Molecular Formula | C13H16Cl2N2O3 |
|---|---|
| Molecular Weight | 318.05 g/mol |
| LogP | 3.3125 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 318.0538 |
| Heavy Atoms | 20 |
| Complexity | 506.38968 |
Chemical Identifiers
| CAS Number | 1173682-55-7 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)OC)NC(=O)NC1=CC(=C(C=C1)Cl)Cl |
Product Overview
methyl N-[(3,4-dichlorophenyl)carbamoyl]-L-valinate (CAS 1173682-55-7), with molecular formula C13H16Cl2N2O3 and molecular weight 318.05 g/mol. IUPAC: methyl (2S)-2-[(3,4-dichlorophenyl)carbamoylamino]-3-methylbutanoate.
Chemical Property Profile of methyl N-[(3,4-dichlorophenyl)carbamoyl]-L-valinate
Property Insights of methyl N-[(3,4-dichlorophenyl)carbamoyl]-L-valinate
The XLogP value of 3.3125 indicates that methyl N-[(3,4-dichlorophenyl)carbamoyl]-L-valinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl N-[(3,4-dichlorophenyl)carbamoyl]-L-valinate. Following Lipinski's Rule of Five, methyl N-[(3,4-dichlorophenyl)carbamoyl]-L-valinate has 2 hydrogen bond donor(s) and 3 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 methyl N-[(3,4-dichlorophenyl)carbamoyl]-L-valinate?
The CAS number of methyl N-[(3,4-dichlorophenyl)carbamoyl]-L-valinate is 1173682-55-7.
What is the molecular formula of methyl N-[(3,4-dichlorophenyl)carbamoyl]-L-valinate?
The molecular formula of methyl N-[(3,4-dichlorophenyl)carbamoyl]-L-valinate is C13H16Cl2N2O3.
What is the molecular weight of methyl N-[(3,4-dichlorophenyl)carbamoyl]-L-valinate?
The molecular weight of methyl N-[(3,4-dichlorophenyl)carbamoyl]-L-valinate is 318.05 g/mol.
Where can I buy methyl N-[(3,4-dichlorophenyl)carbamoyl]-L-valinate?
You can request a quote for methyl N-[(3,4-dichlorophenyl)carbamoyl]-L-valinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl N-[(3,4-dichlorophenyl)carbamoyl]-L-valinate?
Yes, KEHONG BIO provides custom synthesis services for methyl N-[(3,4-dichlorophenyl)carbamoyl]-L-valinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.