![methyl N-{[3-(1,3-benzoxazol-2-yl)phenyl]carbamoyl}-L-leucinate structure](/static/products/956/956247-01-1.png)
methyl N-{[3-(1,3-benzoxazol-2-yl)phenyl]carbamoyl}-L-leucinate
TL;DR: methyl N-{[3-(1,3-benzoxazol-2-yl)phenyl]carbamoyl}-L-leucinate (CAS 956247-01-1) is a chemical compound with molecular formula C21H23N3O4 and molecular weight 381.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-2-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamoylamino]-4-methylpentanoate
Also Known As: methyl N-{[3-(1,3-benzoxazol-2-yl)phenyl]carbamoyl}-L-leucinate, (S)-methyl 2-(3-(3-(benzo[d]oxazol-2-yl)phenyl)ureido)-4-methylpentanoate, methyl (2S)-2-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamoylamino]-4-methylpentanoate
| Molecular Formula | C21H23N3O4 |
|---|---|
| Molecular Weight | 381.17 g/mol |
| LogP | 4.204 |
| Topological Polar Surface Area | 93.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 381.16885 |
| Heavy Atoms | 28 |
| Complexity | 947.451 |
Chemical Identifiers
| CAS Number | 956247-01-1 |
|---|---|
| SMILES | CC(C)C[C@@H](C(=O)OC)NC(=O)NC1=CC=CC(=C1)C2=NC3=CC=CC=C3O2 |
Product Overview
methyl N-{[3-(1,3-benzoxazol-2-yl)phenyl]carbamoyl}-L-leucinate (CAS 956247-01-1), with molecular formula C21H23N3O4 and molecular weight 381.17 g/mol. IUPAC: methyl (2S)-2-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamoylamino]-4-methylpentanoate.
Chemical Property Profile of methyl N-{[3-(1,3-benzoxazol-2-yl)phenyl]carbamoyl}-L-leucinate
Property Insights of methyl N-{[3-(1,3-benzoxazol-2-yl)phenyl]carbamoyl}-L-leucinate
The XLogP value of 4.204 indicates that methyl N-{[3-(1,3-benzoxazol-2-yl)phenyl]carbamoyl}-L-leucinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.46 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl N-{[3-(1,3-benzoxazol-2-yl)phenyl]carbamoyl}-L-leucinate. Following Lipinski's Rule of Five, methyl N-{[3-(1,3-benzoxazol-2-yl)phenyl]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-{[3-(1,3-benzoxazol-2-yl)phenyl]carbamoyl}-L-leucinate?
The CAS number of methyl N-{[3-(1,3-benzoxazol-2-yl)phenyl]carbamoyl}-L-leucinate is 956247-01-1.
What is the molecular formula of methyl N-{[3-(1,3-benzoxazol-2-yl)phenyl]carbamoyl}-L-leucinate?
The molecular formula of methyl N-{[3-(1,3-benzoxazol-2-yl)phenyl]carbamoyl}-L-leucinate is C21H23N3O4.
What is the molecular weight of methyl N-{[3-(1,3-benzoxazol-2-yl)phenyl]carbamoyl}-L-leucinate?
The molecular weight of methyl N-{[3-(1,3-benzoxazol-2-yl)phenyl]carbamoyl}-L-leucinate is 381.17 g/mol.
Where can I buy methyl N-{[3-(1,3-benzoxazol-2-yl)phenyl]carbamoyl}-L-leucinate?
You can request a quote for methyl N-{[3-(1,3-benzoxazol-2-yl)phenyl]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-{[3-(1,3-benzoxazol-2-yl)phenyl]carbamoyl}-L-leucinate?
Yes, KEHONG BIO provides custom synthesis services for methyl N-{[3-(1,3-benzoxazol-2-yl)phenyl]carbamoyl}-L-leucinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.