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Methyl n-[(benzyloxy)carbonyl]valyltyrosinate
TL;DR: Methyl n-[(benzyloxy)carbonyl]valyltyrosinate (CAS 15196-10-8) is a chemical compound with molecular formula C23H28N2O6 and molecular weight 428.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(4-hydroxyphenyl)-2-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoate
Also Known As: Z-Val-Tyr methyl ester, methyl n-[(benzyloxy)carbonyl]valyltyrosinate, methyl 3-(4-hydroxyphenyl)-2-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoate, (S)-Methyl 2-((S)-2-(((benzyloxy)carbonyl)amino)-3-methylbutanamido)-3-(4-hydroxyphenyl)propanoate, L-Tyrosine,N-[(phenylmethoxy)carbonyl]-L-valyl-, methyl ester
| Molecular Formula | C23H28N2O6 |
|---|---|
| Molecular Weight | 428.19 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 428.19473 |
| Heavy Atoms | 31 |
| Complexity | 583.0 |
Chemical Identifiers
| CAS Number | 15196-10-8 |
|---|---|
| SMILES | CC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)OC)NC(=O)OCC2=CC=CC=C2 |
| InChIKey | SWPXBDJUGLEKES-UHFFFAOYSA-N |
Product Overview
Methyl n-[(benzyloxy)carbonyl]valyltyrosinate (CAS 15196-10-8), with molecular formula C23H28N2O6 and molecular weight 428.19 g/mol. IUPAC: methyl 3-(4-hydroxyphenyl)-2-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoate.
Chemical Property Profile of Methyl n-[(benzyloxy)carbonyl]valyltyrosinate
Property Insights of Methyl n-[(benzyloxy)carbonyl]valyltyrosinate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl n-[(benzyloxy)carbonyl]valyltyrosinate. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl n-[(benzyloxy)carbonyl]valyltyrosinate. Following Lipinski's Rule of Five, Methyl n-[(benzyloxy)carbonyl]valyltyrosinate 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]valyltyrosinate?
The CAS number of Methyl n-[(benzyloxy)carbonyl]valyltyrosinate is 15196-10-8.
What is the molecular formula of Methyl n-[(benzyloxy)carbonyl]valyltyrosinate?
The molecular formula of Methyl n-[(benzyloxy)carbonyl]valyltyrosinate is C23H28N2O6.
What is the molecular weight of Methyl n-[(benzyloxy)carbonyl]valyltyrosinate?
The molecular weight of Methyl n-[(benzyloxy)carbonyl]valyltyrosinate is 428.19 g/mol.
Where can I buy Methyl n-[(benzyloxy)carbonyl]valyltyrosinate?
You can request a quote for Methyl n-[(benzyloxy)carbonyl]valyltyrosinate 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]valyltyrosinate?
Yes, KEHONG BIO provides custom synthesis services for Methyl n-[(benzyloxy)carbonyl]valyltyrosinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.