S,S'-bis(tert-butyloxycarbonyl-cysteinylalanine methyl ester)
TL;DR: S,S'-bis(tert-butyloxycarbonyl-cysteinylalanine methyl ester) (CAS 126686-69-9) is a chemical compound with molecular formula C24H42N4O10S2 and molecular weight 610.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-2-[[(2R)-3-[[(2R)-3-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]disulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoate
Also Known As: S,S'-Bis(boc-cys-ala-ome), S,S'-Bis(tert-butyloxycarbonyl-cysteinylalanine methyl ester), disulfide dimer of Boc-L-Cys-L-Ala-OMe, S,S/'-bis(tert-butyloxycarbonyl-cysteinylalanine methyl ester), Methyl (4S,7R,12R,15S)-7,12-bis[(tert-butoxycarbonyl)amino]-4,15-dimethyl-3,6,13-trioxo-2-oxa-9,10-dithia-5,14-diazahexadecan-16-oate
| Molecular Formula | C24H42N4O10S2 |
|---|---|
| Molecular Weight | 610.23 g/mol |
| LogP | 1.5098 |
| Topological Polar Surface Area | 187.46 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 13 |
| Exact Mass | 610.23425 |
| Heavy Atoms | 40 |
| Complexity | 833.0684 |
Chemical Identifiers
| CAS Number | 126686-69-9 |
|---|---|
| SMILES | C[C@@H](C(=O)OC)NC(=O)[C@H](CSSC[C@@H](C(=O)N[C@@H](C)C(=O)OC)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C |
Product Overview
S,S'-bis(tert-butyloxycarbonyl-cysteinylalanine methyl ester) (CAS 126686-69-9), with molecular formula C24H42N4O10S2 and molecular weight 610.23 g/mol. IUPAC: methyl (2S)-2-[[(2R)-3-[[(2R)-3-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]disulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoate.
Chemical Property Profile of S,S'-bis(tert-butyloxycarbonyl-cysteinylalanine methyl ester)
Property Insights of S,S'-bis(tert-butyloxycarbonyl-cysteinylalanine methyl ester)
The XLogP value of 1.5098 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S,S'-bis(tert-butyloxycarbonyl-cysteinylalanine methyl ester). The TPSA of 187.46 Ų indicates high polarity, suggesting S,S'-bis(tert-butyloxycarbonyl-cysteinylalanine methyl ester) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, S,S'-bis(tert-butyloxycarbonyl-cysteinylalanine methyl ester) has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of S,S'-bis(tert-butyloxycarbonyl-cysteinylalanine methyl ester)?
The CAS number of S,S'-bis(tert-butyloxycarbonyl-cysteinylalanine methyl ester) is 126686-69-9.
What is the molecular formula of S,S'-bis(tert-butyloxycarbonyl-cysteinylalanine methyl ester)?
The molecular formula of S,S'-bis(tert-butyloxycarbonyl-cysteinylalanine methyl ester) is C24H42N4O10S2.
What is the molecular weight of S,S'-bis(tert-butyloxycarbonyl-cysteinylalanine methyl ester)?
The molecular weight of S,S'-bis(tert-butyloxycarbonyl-cysteinylalanine methyl ester) is 610.23 g/mol.
Where can I buy S,S'-bis(tert-butyloxycarbonyl-cysteinylalanine methyl ester)?
You can request a quote for S,S'-bis(tert-butyloxycarbonyl-cysteinylalanine methyl ester) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S,S'-bis(tert-butyloxycarbonyl-cysteinylalanine methyl ester)?
Yes, KEHONG BIO provides custom synthesis services for S,S'-bis(tert-butyloxycarbonyl-cysteinylalanine methyl ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.