tyrosyl-alanylglycyl-phenylalanyl-cysteine S-butyl ester
TL;DR: tyrosyl-alanylglycyl-phenylalanyl-cysteine S-butyl ester (CAS 94492-35-0) is a chemical compound with molecular formula C30H41N5O7S and molecular weight 615.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-butylsulfanylpropanoic acid
Also Known As: Tyr-ala-gly-phe-cys(Bu), Tyr-D-Ala-Gly-Phe-Cys(Bu), Tyrosyl-alanylglycyl-phenylalanyl-cysteine S-butyl ester, tyrosyl-alanylglycyl-phenylalanyl-cysteineS-butylester, L-Tyrosyl-D-alanylglycyl-L-phenylalanyl-S-butyl-L-cysteine
| Molecular Formula | C30H41N5O7S |
|---|---|
| Molecular Weight | 615.27 g/mol |
| LogP | 0.7131 |
| Topological Polar Surface Area | 199.95 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 18 |
| Exact Mass | 615.27264 |
| Heavy Atoms | 43 |
| Complexity | 1213.1404 |
Chemical Identifiers
| CAS Number | 94492-35-0 |
|---|---|
| SMILES | CCCCSC[C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@H](CC2=CC=C(C=C2)O)N |
Product Overview
tyrosyl-alanylglycyl-phenylalanyl-cysteine S-butyl ester (CAS 94492-35-0), with molecular formula C30H41N5O7S and molecular weight 615.27 g/mol. IUPAC: (2R)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-butylsulfanylpropanoic acid.
Chemical Property Profile of tyrosyl-alanylglycyl-phenylalanyl-cysteine S-butyl ester
Property Insights of tyrosyl-alanylglycyl-phenylalanyl-cysteine S-butyl ester
The XLogP value of 0.7131 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tyrosyl-alanylglycyl-phenylalanyl-cysteine S-butyl ester. The TPSA of 199.95 Ų indicates high polarity, suggesting tyrosyl-alanylglycyl-phenylalanyl-cysteine S-butyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, tyrosyl-alanylglycyl-phenylalanyl-cysteine S-butyl ester has 7 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of tyrosyl-alanylglycyl-phenylalanyl-cysteine S-butyl ester?
The CAS number of tyrosyl-alanylglycyl-phenylalanyl-cysteine S-butyl ester is 94492-35-0.
What is the molecular formula of tyrosyl-alanylglycyl-phenylalanyl-cysteine S-butyl ester?
The molecular formula of tyrosyl-alanylglycyl-phenylalanyl-cysteine S-butyl ester is C30H41N5O7S.
What is the molecular weight of tyrosyl-alanylglycyl-phenylalanyl-cysteine S-butyl ester?
The molecular weight of tyrosyl-alanylglycyl-phenylalanyl-cysteine S-butyl ester is 615.27 g/mol.
Where can I buy tyrosyl-alanylglycyl-phenylalanyl-cysteine S-butyl ester?
You can request a quote for tyrosyl-alanylglycyl-phenylalanyl-cysteine S-butyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tyrosyl-alanylglycyl-phenylalanyl-cysteine S-butyl ester?
Yes, KEHONG BIO provides custom synthesis services for tyrosyl-alanylglycyl-phenylalanyl-cysteine S-butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.