Carbobenzyloxytryptophyltyrosine methyl ester
TL;DR: Carbobenzyloxytryptophyltyrosine methyl ester (CAS 20762-35-0) is a chemical compound with molecular formula C29H29N3O6 and molecular weight 515.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(4-hydroxyphenyl)-2-[[3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate
Also Known As: CARBOBENZYLOXYTRYPTOPHYLTYROSINE METHYL ESTER, methyl 3-(4-hydroxyphenyl)-2-[[3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate, (S)-Methyl 2-((S)-2-(((benzyloxy)carbonyl)amino)-3-(1H-indol-3-yl)propanamido)-3-(4-hydroxyphenyl)propanoate, 667-925-5, methyl (2S)-2-[(2S)-2-{[(benzyloxy)carbonyl]amino}-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanoate
| Molecular Formula | C29H29N3O6 |
|---|---|
| Molecular Weight | 515.21 g/mol |
| LogP | 3.6115 |
| Topological Polar Surface Area | 129.75 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 515.2056 |
| Heavy Atoms | 38 |
| Complexity | 1384.4828 |
Chemical Identifiers
| CAS Number | 20762-35-0 |
|---|---|
| SMILES | COC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)OCC4=CC=CC=C4 |
Product Overview
Carbobenzyloxytryptophyltyrosine methyl ester (CAS 20762-35-0), with molecular formula C29H29N3O6 and molecular weight 515.21 g/mol. IUPAC: methyl 3-(4-hydroxyphenyl)-2-[[3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate.
Chemical Property Profile of Carbobenzyloxytryptophyltyrosine methyl ester
Property Insights of Carbobenzyloxytryptophyltyrosine methyl ester
The XLogP value of 3.6115 indicates that Carbobenzyloxytryptophyltyrosine methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.75 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbobenzyloxytryptophyltyrosine methyl ester. Following Lipinski's Rule of Five, Carbobenzyloxytryptophyltyrosine methyl ester has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Carbobenzyloxytryptophyltyrosine methyl ester?
The CAS number of Carbobenzyloxytryptophyltyrosine methyl ester is 20762-35-0.
What is the molecular formula of Carbobenzyloxytryptophyltyrosine methyl ester?
The molecular formula of Carbobenzyloxytryptophyltyrosine methyl ester is C29H29N3O6.
What is the molecular weight of Carbobenzyloxytryptophyltyrosine methyl ester?
The molecular weight of Carbobenzyloxytryptophyltyrosine methyl ester is 515.21 g/mol.
Where can I buy Carbobenzyloxytryptophyltyrosine methyl ester?
You can request a quote for Carbobenzyloxytryptophyltyrosine methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbobenzyloxytryptophyltyrosine methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbobenzyloxytryptophyltyrosine methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.