![methyl N-{[2-(pyridin-3-yl)-1,3-benzoxazol-5-yl]carbamoyl}-L-valinate structure](/static/products/117/1173680-45-9.png)
methyl N-{[2-(pyridin-3-yl)-1,3-benzoxazol-5-yl]carbamoyl}-L-valinate
TL;DR: methyl N-{[2-(pyridin-3-yl)-1,3-benzoxazol-5-yl]carbamoyl}-L-valinate (CAS 1173680-45-9) is a chemical compound with molecular formula C19H20N4O4 and molecular weight 368.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-3-methyl-2-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamoylamino]butanoate
Also Known As: AB01298881-01, methyl N-{[2-(pyridin-3-yl)-1,3-benzoxazol-5-yl]carbamoyl}-L-valinate, (S)-methyl 3-methyl-2-(3-(2-(pyridin-3-yl)benzo[d]oxazol-5-yl)ureido)butanoate, methyl (2S)-3-methyl-2-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamoylamino]butanoate
| Molecular Formula | C19H20N4O4 |
|---|---|
| Molecular Weight | 368.15 g/mol |
| LogP | 3.2089 |
| Topological Polar Surface Area | 106.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 368.14847 |
| Heavy Atoms | 27 |
| Complexity | 952.7579 |
Chemical Identifiers
| CAS Number | 1173680-45-9 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)OC)NC(=O)NC1=CC2=C(C=C1)OC(=N2)C3=CN=CC=C3 |
Product Overview
methyl N-{[2-(pyridin-3-yl)-1,3-benzoxazol-5-yl]carbamoyl}-L-valinate (CAS 1173680-45-9), with molecular formula C19H20N4O4 and molecular weight 368.15 g/mol. IUPAC: methyl (2S)-3-methyl-2-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamoylamino]butanoate.
Chemical Property Profile of methyl N-{[2-(pyridin-3-yl)-1,3-benzoxazol-5-yl]carbamoyl}-L-valinate
Property Insights of methyl N-{[2-(pyridin-3-yl)-1,3-benzoxazol-5-yl]carbamoyl}-L-valinate
The XLogP value of 3.2089 indicates that methyl N-{[2-(pyridin-3-yl)-1,3-benzoxazol-5-yl]carbamoyl}-L-valinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.35 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl N-{[2-(pyridin-3-yl)-1,3-benzoxazol-5-yl]carbamoyl}-L-valinate. Following Lipinski's Rule of Five, methyl N-{[2-(pyridin-3-yl)-1,3-benzoxazol-5-yl]carbamoyl}-L-valinate has 2 hydrogen bond donor(s) and 6 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-{[2-(pyridin-3-yl)-1,3-benzoxazol-5-yl]carbamoyl}-L-valinate?
The CAS number of methyl N-{[2-(pyridin-3-yl)-1,3-benzoxazol-5-yl]carbamoyl}-L-valinate is 1173680-45-9.
What is the molecular formula of methyl N-{[2-(pyridin-3-yl)-1,3-benzoxazol-5-yl]carbamoyl}-L-valinate?
The molecular formula of methyl N-{[2-(pyridin-3-yl)-1,3-benzoxazol-5-yl]carbamoyl}-L-valinate is C19H20N4O4.
What is the molecular weight of methyl N-{[2-(pyridin-3-yl)-1,3-benzoxazol-5-yl]carbamoyl}-L-valinate?
The molecular weight of methyl N-{[2-(pyridin-3-yl)-1,3-benzoxazol-5-yl]carbamoyl}-L-valinate is 368.15 g/mol.
Where can I buy methyl N-{[2-(pyridin-3-yl)-1,3-benzoxazol-5-yl]carbamoyl}-L-valinate?
You can request a quote for methyl N-{[2-(pyridin-3-yl)-1,3-benzoxazol-5-yl]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-{[2-(pyridin-3-yl)-1,3-benzoxazol-5-yl]carbamoyl}-L-valinate?
Yes, KEHONG BIO provides custom synthesis services for methyl N-{[2-(pyridin-3-yl)-1,3-benzoxazol-5-yl]carbamoyl}-L-valinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.