![methyl n-[(benzyloxy)carbonyl]threonylvalinate structure](/static/products/5687/5687-31-0.webp)
methyl n-[(benzyloxy)carbonyl]threonylvalinate
TL;DR: methyl n-[(benzyloxy)carbonyl]threonylvalinate (CAS 5687-31-0) is a chemical compound with molecular formula C18H26N2O6 and molecular weight 366.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[3-hydroxy-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-methylbutanoate
Also Known As: methyl n-[(benzyloxy)carbonyl]threonylvalinate, 2-{[(Benzyloxy)(hydroxy)methylidene]amino}-3-hydroxy-N-(1-methoxy-3-methyl-1-oxobutan-2-yl)butanimidic acid, methyl 2-(2-{[(benzyloxy)carbonyl]amino}-3-hydroxybutanamido)-3-methylbutanoate, methyl 2-[[3-hydroxy-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-methylbutanoate
| Molecular Formula | C18H26N2O6 |
|---|---|
| Molecular Weight | 366.18 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 366.17908 |
| Heavy Atoms | 26 |
| Complexity | 476.0 |
Chemical Identifiers
| CAS Number | 5687-31-0 |
|---|---|
| SMILES | CC(C)C(C(=O)OC)NC(=O)C(C(C)O)NC(=O)OCC1=CC=CC=C1 |
| InChIKey | YJIGHRNHFWGNJX-UHFFFAOYSA-N |
Product Overview
methyl n-[(benzyloxy)carbonyl]threonylvalinate (CAS 5687-31-0), with molecular formula C18H26N2O6 and molecular weight 366.18 g/mol. IUPAC: methyl 2-[[3-hydroxy-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-methylbutanoate.
Chemical Property Profile of methyl n-[(benzyloxy)carbonyl]threonylvalinate
Property Insights of methyl n-[(benzyloxy)carbonyl]threonylvalinate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl n-[(benzyloxy)carbonyl]threonylvalinate. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl n-[(benzyloxy)carbonyl]threonylvalinate. Following Lipinski's Rule of Five, methyl n-[(benzyloxy)carbonyl]threonylvalinate has 3 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-[(benzyloxy)carbonyl]threonylvalinate?
The CAS number of methyl n-[(benzyloxy)carbonyl]threonylvalinate is 5687-31-0.
What is the molecular formula of methyl n-[(benzyloxy)carbonyl]threonylvalinate?
The molecular formula of methyl n-[(benzyloxy)carbonyl]threonylvalinate is C18H26N2O6.
What is the molecular weight of methyl n-[(benzyloxy)carbonyl]threonylvalinate?
The molecular weight of methyl n-[(benzyloxy)carbonyl]threonylvalinate is 366.18 g/mol.
Where can I buy methyl n-[(benzyloxy)carbonyl]threonylvalinate?
You can request a quote for methyl n-[(benzyloxy)carbonyl]threonylvalinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl n-[(benzyloxy)carbonyl]threonylvalinate?
Yes, KEHONG BIO provides custom synthesis services for methyl n-[(benzyloxy)carbonyl]threonylvalinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.