![methyl N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-leucinate structure](/static/products/956/956045-68-4.png)
methyl N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-leucinate
TL;DR: methyl N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-leucinate (CAS 956045-68-4) is a chemical compound with molecular formula C16H22N2O5 and molecular weight 322.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-4-methylpentanoate
Also Known As: methyl N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-leucinate, methyl N-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}-L-leucinate, (S)-methyl 2-(3-(benzo[d][1,3]dioxol-5-ylmethyl)ureido)-4-methylpentanoate, methyl (2S)-2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-4-methylpentanoate
| Molecular Formula | C16H22N2O5 |
|---|---|
| Molecular Weight | 322.15 g/mol |
| LogP | 1.8022 |
| Topological Polar Surface Area | 85.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 322.15286 |
| Heavy Atoms | 23 |
| Complexity | 573.58905 |
Chemical Identifiers
| CAS Number | 956045-68-4 |
|---|---|
| SMILES | CC(C)C[C@@H](C(=O)OC)NC(=O)NCC1=CC2=C(C=C1)OCO2 |
Product Overview
methyl N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-leucinate (CAS 956045-68-4), with molecular formula C16H22N2O5 and molecular weight 322.15 g/mol. IUPAC: methyl (2S)-2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-4-methylpentanoate.
Chemical Property Profile of methyl N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-leucinate
Property Insights of methyl N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-leucinate
The XLogP value of 1.8022 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-leucinate. The TPSA of 85.89 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-leucinate. Following Lipinski's Rule of Five, methyl N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-leucinate has 2 hydrogen bond donor(s) and 5 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-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-leucinate?
The CAS number of methyl N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-leucinate is 956045-68-4.
What is the molecular formula of methyl N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-leucinate?
The molecular formula of methyl N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-leucinate is C16H22N2O5.
What is the molecular weight of methyl N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-leucinate?
The molecular weight of methyl N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-leucinate is 322.15 g/mol.
Where can I buy methyl N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-leucinate?
You can request a quote for methyl N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-leucinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-leucinate?
Yes, KEHONG BIO provides custom synthesis services for methyl N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-leucinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.