(N-tert-butyloxycarbonyl-cysteinyl-alanyl-cysteinyl-methylamide)2
TL;DR: (N-tert-butyloxycarbonyl-cysteinyl-alanyl-cysteinyl-methylamide)2 (CAS 93629-01-7) is a chemical compound with molecular formula C30H52N8O10S4 and molecular weight 812.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[(2R)-1-[[(2S)-1-[[(2R)-2-[[(E)-2-[[(2R)-1-[[(2S)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-sulfanylpropanoyl]amino]propanoyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]ethenyl]amino]-3-sulfanylpropanoyl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]carbamate
Also Known As: BCACN, (Boc-cys-ala-cys-nhch3)2, (N-tert-Butyloxycarbonyl-cysteinyl-alanyl-cysteinyl-methylamide)2, tert-butyl N-[(2R)-1-[[(2S)-1-[[(2R)-2-[[(E)-2-[[(2R)-1-[[(2S)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-sulfanylpropanoyl]amino]propanoyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]ethenyl]amino]-3-sulfanylpropanoyl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]carbamate
| Molecular Formula | C30H52N8O10S4 |
|---|---|
| Molecular Weight | 812.27 g/mol |
| LogP | -0.8252 |
| Topological Polar Surface Area | 251.26 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 18 |
| Exact Mass | 812.2689 |
| Heavy Atoms | 52 |
| Complexity | 1213.3604 |
Chemical Identifiers
| CAS Number | 93629-01-7 |
|---|---|
| SMILES | C[C@@H](C(=O)NC(=O)[C@H](CS)N/C=C/N[C@@H](CS)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)OC(C)(C)C)NC(=O)[C@H](CS)NC(=O)OC(C)(C)C |
Product Overview
(N-tert-butyloxycarbonyl-cysteinyl-alanyl-cysteinyl-methylamide)2 (CAS 93629-01-7), with molecular formula C30H52N8O10S4 and molecular weight 812.27 g/mol. IUPAC: tert-butyl N-[(2R)-1-[[(2S)-1-[[(2R)-2-[[(E)-2-[[(2R)-1-[[(2S)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-sulfanylpropanoyl]amino]propanoyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]ethenyl]amino]-3-sulfanylpropanoyl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]carbamate.
Chemical Property Profile of (N-tert-butyloxycarbonyl-cysteinyl-alanyl-cysteinyl-methylamide)2
Property Insights of (N-tert-butyloxycarbonyl-cysteinyl-alanyl-cysteinyl-methylamide)2
The XLogP value of -0.8252 indicates that (N-tert-butyloxycarbonyl-cysteinyl-alanyl-cysteinyl-methylamide)2 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 251.26 Ų indicates high polarity, suggesting (N-tert-butyloxycarbonyl-cysteinyl-alanyl-cysteinyl-methylamide)2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (N-tert-butyloxycarbonyl-cysteinyl-alanyl-cysteinyl-methylamide)2 has 12 hydrogen bond donor(s) and 16 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-butyloxycarbonyl-cysteinyl-alanyl-cysteinyl-methylamide)2?
The CAS number of (N-tert-butyloxycarbonyl-cysteinyl-alanyl-cysteinyl-methylamide)2 is 93629-01-7.
What is the molecular formula of (N-tert-butyloxycarbonyl-cysteinyl-alanyl-cysteinyl-methylamide)2?
The molecular formula of (N-tert-butyloxycarbonyl-cysteinyl-alanyl-cysteinyl-methylamide)2 is C30H52N8O10S4.
What is the molecular weight of (N-tert-butyloxycarbonyl-cysteinyl-alanyl-cysteinyl-methylamide)2?
The molecular weight of (N-tert-butyloxycarbonyl-cysteinyl-alanyl-cysteinyl-methylamide)2 is 812.27 g/mol.
Where can I buy (N-tert-butyloxycarbonyl-cysteinyl-alanyl-cysteinyl-methylamide)2?
You can request a quote for (N-tert-butyloxycarbonyl-cysteinyl-alanyl-cysteinyl-methylamide)2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (N-tert-butyloxycarbonyl-cysteinyl-alanyl-cysteinyl-methylamide)2?
Yes, KEHONG BIO provides custom synthesis services for (N-tert-butyloxycarbonyl-cysteinyl-alanyl-cysteinyl-methylamide)2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.