Boc-Ala-Pro-Nva p-chlorothiobenzyl ester
TL;DR: Boc-Ala-Pro-Nva p-chlorothiobenzyl ester (CAS 90171-50-9) is a chemical compound with molecular formula C25H36ClN3O5S and molecular weight 525.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[(4-chlorophenyl)methyl] 2-[[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carbonyl]amino]pentanethioate
Also Known As: Boc-Ala-Pro-Nva p-chlorothiobenzyl ester, BOC-ALA-PRO-NVA-4-CHLORO-SBZL, S-[(4-chlorophenyl)methyl] 2-[[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carbonyl]amino]pentanethioate, N-(tert-Butoxycarbonyl)alanyl-N-(1-{[(4-chlorophenyl)methyl]sulfanyl}-1-oxopentan-2-yl)prolinamide
| Molecular Formula | C25H36ClN3O5S |
|---|---|
| Molecular Weight | 525.21 g/mol |
| LogP | 4.2889 |
| Topological Polar Surface Area | 104.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 525.2064 |
| Heavy Atoms | 35 |
| Complexity | 903.3585 |
Chemical Identifiers
| CAS Number | 90171-50-9 |
|---|---|
| SMILES | CCCC(C(=O)SCC1=CC=C(C=C1)Cl)NC(=O)C2CCCN2C(=O)C(C)NC(=O)OC(C)(C)C |
Product Overview
Boc-Ala-Pro-Nva p-chlorothiobenzyl ester (CAS 90171-50-9), with molecular formula C25H36ClN3O5S and molecular weight 525.21 g/mol. IUPAC: S-[(4-chlorophenyl)methyl] 2-[[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carbonyl]amino]pentanethioate.
Chemical Property Profile of Boc-Ala-Pro-Nva p-chlorothiobenzyl ester
Property Insights of Boc-Ala-Pro-Nva p-chlorothiobenzyl ester
The XLogP value of 4.2889 indicates that Boc-Ala-Pro-Nva p-chlorothiobenzyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.81 Ų falls within the moderate polarity range, balancing permeability and solubility for Boc-Ala-Pro-Nva p-chlorothiobenzyl ester. Following Lipinski's Rule of Five, Boc-Ala-Pro-Nva p-chlorothiobenzyl ester has 2 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 Boc-Ala-Pro-Nva p-chlorothiobenzyl ester?
The CAS number of Boc-Ala-Pro-Nva p-chlorothiobenzyl ester is 90171-50-9.
What is the molecular formula of Boc-Ala-Pro-Nva p-chlorothiobenzyl ester?
The molecular formula of Boc-Ala-Pro-Nva p-chlorothiobenzyl ester is C25H36ClN3O5S.
What is the molecular weight of Boc-Ala-Pro-Nva p-chlorothiobenzyl ester?
The molecular weight of Boc-Ala-Pro-Nva p-chlorothiobenzyl ester is 525.21 g/mol.
Where can I buy Boc-Ala-Pro-Nva p-chlorothiobenzyl ester?
You can request a quote for Boc-Ala-Pro-Nva p-chlorothiobenzyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Boc-Ala-Pro-Nva p-chlorothiobenzyl ester?
Yes, KEHONG BIO provides custom synthesis services for Boc-Ala-Pro-Nva p-chlorothiobenzyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.