![N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-valine structure](/static/products/955/955975-62-9.png)
N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-valine
TL;DR: N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-valine (CAS 955975-62-9) is a chemical compound with molecular formula C14H18N2O5 and molecular weight 294.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-3-methylbutanoic acid
Also Known As: N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-valine, (2S)-2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-3-methylbutanoic acid, (S)-2-(3-(benzo[d][1,3]dioxol-5-ylmethyl)ureido)-3-methylbutanoic acid, 2-(benzo[1,3]dioxol-5-ylmethylcarbamoylamino)-3-methyl-butanoic Acid
| Molecular Formula | C14H18N2O5 |
|---|---|
| Molecular Weight | 294.12 g/mol |
| LogP | 1.3237 |
| Topological Polar Surface Area | 96.89 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 294.12158 |
| Heavy Atoms | 21 |
| Complexity | 544.16595 |
Chemical Identifiers
| CAS Number | 955975-62-9 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)O)NC(=O)NCC1=CC2=C(C=C1)OCO2 |
Product Overview
N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-valine (CAS 955975-62-9), with molecular formula C14H18N2O5 and molecular weight 294.12 g/mol. IUPAC: (2S)-2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-3-methylbutanoic acid.
Chemical Property Profile of N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-valine
Property Insights of N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-valine
The XLogP value of 1.3237 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-valine. The TPSA of 96.89 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-valine. Following Lipinski's Rule of Five, N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-valine has 3 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 N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-valine?
The CAS number of N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-valine is 955975-62-9.
What is the molecular formula of N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-valine?
The molecular formula of N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-valine is C14H18N2O5.
What is the molecular weight of N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-valine?
The molecular weight of N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-valine is 294.12 g/mol.
Where can I buy N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-valine?
You can request a quote for N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-valine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-valine?
Yes, KEHONG BIO provides custom synthesis services for N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-valine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.