N-(Tert-butoxycarbonyl)-L-valyl-L-aspartic acid dibenzyl ester
TL;DR: N-(Tert-butoxycarbonyl)-L-valyl-L-aspartic acid dibenzyl ester (CAS 70853-19-9) is a chemical compound with molecular formula C28H36N2O7 and molecular weight 512.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dibenzyl 2-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanedioate
Also Known As: Dibenzyl N-(tert-butoxycarbonyl)valylaspartate, dibenzyl 2-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanedioate, N-(TERT-BUTOXYCARBONYL)-L-VALYL-L-ASPARTIC ACID DIBENZYL ESTER, dibenzyl (2S)-2-({(2S)-2-[(tert-butoxycarbonyl)amino]-3-methylbutanoyl}amino)butanedioate, 667-939-1
| Molecular Formula | C28H36N2O7 |
|---|---|
| Molecular Weight | 512.25 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 15 |
| Exact Mass | 512.25226 |
| Heavy Atoms | 37 |
| Complexity | 750.0 |
Chemical Identifiers
| CAS Number | 70853-19-9 |
|---|---|
| SMILES | CC(C)C(C(=O)NC(CC(=O)OCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)NC(=O)OC(C)(C)C |
| InChIKey | RRRJTMPSYKCMGZ-UHFFFAOYSA-N |
Product Overview
N-(Tert-butoxycarbonyl)-L-valyl-L-aspartic acid dibenzyl ester (CAS 70853-19-9), with molecular formula C28H36N2O7 and molecular weight 512.25 g/mol. IUPAC: dibenzyl 2-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanedioate.
Chemical Property Profile of N-(Tert-butoxycarbonyl)-L-valyl-L-aspartic acid dibenzyl ester
Property Insights of N-(Tert-butoxycarbonyl)-L-valyl-L-aspartic acid dibenzyl ester
The XLogP value of 4.4 indicates that N-(Tert-butoxycarbonyl)-L-valyl-L-aspartic acid dibenzyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(Tert-butoxycarbonyl)-L-valyl-L-aspartic acid dibenzyl ester. Following Lipinski's Rule of Five, N-(Tert-butoxycarbonyl)-L-valyl-L-aspartic acid dibenzyl ester has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(Tert-butoxycarbonyl)-L-valyl-L-aspartic acid dibenzyl ester?
The CAS number of N-(Tert-butoxycarbonyl)-L-valyl-L-aspartic acid dibenzyl ester is 70853-19-9.
What is the molecular formula of N-(Tert-butoxycarbonyl)-L-valyl-L-aspartic acid dibenzyl ester?
The molecular formula of N-(Tert-butoxycarbonyl)-L-valyl-L-aspartic acid dibenzyl ester is C28H36N2O7.
What is the molecular weight of N-(Tert-butoxycarbonyl)-L-valyl-L-aspartic acid dibenzyl ester?
The molecular weight of N-(Tert-butoxycarbonyl)-L-valyl-L-aspartic acid dibenzyl ester is 512.25 g/mol.
Where can I buy N-(Tert-butoxycarbonyl)-L-valyl-L-aspartic acid dibenzyl ester?
You can request a quote for N-(Tert-butoxycarbonyl)-L-valyl-L-aspartic acid dibenzyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(Tert-butoxycarbonyl)-L-valyl-L-aspartic acid dibenzyl ester?
Yes, KEHONG BIO provides custom synthesis services for N-(Tert-butoxycarbonyl)-L-valyl-L-aspartic acid dibenzyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.