![Valine, N-[(phenylamino)carbonyl]- structure](/static/products/848/84860-35-5.png)
Valine, N-[(phenylamino)carbonyl]-
TL;DR: Valine, N-[(phenylamino)carbonyl]- (CAS 84860-35-5) is a chemical compound with molecular formula C12H16N2O3 and molecular weight 236.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-3-methyl-2-(phenylcarbamoylamino)butanoic acid
Also Known As: Valine, N-[(phenylamino)carbonyl]-, starbld0034245, (Phenylcarbamoyl)-L-valine, N-(Phenylcarbamoyl)-L-valine, N-(Phenylaminocarbonyl)-L-valine
| Molecular Formula | C12H16N2O3 |
|---|---|
| Molecular Weight | 236.12 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 78.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 236.11609 |
| Heavy Atoms | 17 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 84860-35-5 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)O)NC(=O)NC1=CC=CC=C1 |
| InChIKey | IIJAEFRNONKHQP-JTQLQIEISA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Valine, N-[(phenylamino)carbonyl]- (CAS 84860-35-5), with molecular formula C12H16N2O3 and molecular weight 236.12 g/mol. IUPAC: (2S)-3-methyl-2-(phenylcarbamoylamino)butanoic acid.
Chemical Property Profile of Valine, N-[(phenylamino)carbonyl]-
Property Insights of Valine, N-[(phenylamino)carbonyl]-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Valine, N-[(phenylamino)carbonyl]-. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Valine, N-[(phenylamino)carbonyl]-. Following Lipinski's Rule of Five, Valine, N-[(phenylamino)carbonyl]- has 3 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 Valine, N-[(phenylamino)carbonyl]-?
The CAS number of Valine, N-[(phenylamino)carbonyl]- is 84860-35-5.
What is the molecular formula of Valine, N-[(phenylamino)carbonyl]-?
The molecular formula of Valine, N-[(phenylamino)carbonyl]- is C12H16N2O3.
What is the molecular weight of Valine, N-[(phenylamino)carbonyl]-?
The molecular weight of Valine, N-[(phenylamino)carbonyl]- is 236.12 g/mol.
Where can I buy Valine, N-[(phenylamino)carbonyl]-?
You can request a quote for Valine, N-[(phenylamino)carbonyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Valine, N-[(phenylamino)carbonyl]-?
Yes, KEHONG BIO provides custom synthesis services for Valine, N-[(phenylamino)carbonyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.