Methyl N-(tert-butoxycarbonyl)tryptophylcysteinate
TL;DR: Methyl N-(tert-butoxycarbonyl)tryptophylcysteinate (CAS 72254-55-8) is a chemical compound with molecular formula C20H27N3O5S and molecular weight 421.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-sulfanylpropanoate
Also Known As: Methyl N-(tert-butoxycarbonyl)tryptophylcysteinate, methyl 2-[[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-sulfanylpropanoate
| Molecular Formula | C20H27N3O5S |
|---|---|
| Molecular Weight | 421.17 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 421.16714 |
| Heavy Atoms | 29 |
| Complexity | 595.0 |
Chemical Identifiers
| CAS Number | 72254-55-8 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CS)C(=O)OC |
| InChIKey | PDYNITPTBLMNKG-UHFFFAOYSA-N |
Product Overview
Methyl N-(tert-butoxycarbonyl)tryptophylcysteinate (CAS 72254-55-8), with molecular formula C20H27N3O5S and molecular weight 421.17 g/mol. IUPAC: methyl 2-[[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-sulfanylpropanoate.
Chemical Property Profile of Methyl N-(tert-butoxycarbonyl)tryptophylcysteinate
Property Insights of Methyl N-(tert-butoxycarbonyl)tryptophylcysteinate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl N-(tert-butoxycarbonyl)tryptophylcysteinate. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl N-(tert-butoxycarbonyl)tryptophylcysteinate. Following Lipinski's Rule of Five, Methyl N-(tert-butoxycarbonyl)tryptophylcysteinate has 4 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-(tert-butoxycarbonyl)tryptophylcysteinate?
The CAS number of Methyl N-(tert-butoxycarbonyl)tryptophylcysteinate is 72254-55-8.
What is the molecular formula of Methyl N-(tert-butoxycarbonyl)tryptophylcysteinate?
The molecular formula of Methyl N-(tert-butoxycarbonyl)tryptophylcysteinate is C20H27N3O5S.
What is the molecular weight of Methyl N-(tert-butoxycarbonyl)tryptophylcysteinate?
The molecular weight of Methyl N-(tert-butoxycarbonyl)tryptophylcysteinate is 421.17 g/mol.
Where can I buy Methyl N-(tert-butoxycarbonyl)tryptophylcysteinate?
You can request a quote for Methyl N-(tert-butoxycarbonyl)tryptophylcysteinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl N-(tert-butoxycarbonyl)tryptophylcysteinate?
Yes, KEHONG BIO provides custom synthesis services for Methyl N-(tert-butoxycarbonyl)tryptophylcysteinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.