Boc-cys(3,4-dimethylbenzyl)-OH
TL;DR: Boc-cys(3,4-dimethylbenzyl)-OH (CAS 41117-66-2) is a chemical compound with molecular formula C17H25NO4S and molecular weight 339.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-3-[(3,4-dimethylphenyl)methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Also Known As: Boc-cys(3,4-dimethylbenzyl)-OH, Boc-S-3,4-dimethylbenzyl-L-cysteine, Boc-L-Cys(3,4-dimethylBzl)-OH, 6293AH, (2R)-3-[(3,4-dimethylphenyl)methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
| Molecular Formula | C17H25NO4S |
|---|---|
| Molecular Weight | 339.15 g/mol |
| LogP | 3.51454 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 339.15042 |
| Heavy Atoms | 23 |
| Complexity | 566.2021 |
Chemical Identifiers
| CAS Number | 41117-66-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)CSC[C@@H](C(=O)O)NC(=O)OC(C)(C)C)C |
Product Overview
Boc-cys(3,4-dimethylbenzyl)-OH (CAS 41117-66-2), with molecular formula C17H25NO4S and molecular weight 339.15 g/mol. IUPAC: (2R)-3-[(3,4-dimethylphenyl)methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.
Chemical Property Profile of Boc-cys(3,4-dimethylbenzyl)-OH
Property Insights of Boc-cys(3,4-dimethylbenzyl)-OH
The XLogP value of 3.51454 indicates that Boc-cys(3,4-dimethylbenzyl)-OH is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.63 Ų falls within the moderate polarity range, balancing permeability and solubility for Boc-cys(3,4-dimethylbenzyl)-OH. Following Lipinski's Rule of Five, Boc-cys(3,4-dimethylbenzyl)-OH has 2 hydrogen bond donor(s) and 4 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 Boc-cys(3,4-dimethylbenzyl)-OH?
The CAS number of Boc-cys(3,4-dimethylbenzyl)-OH is 41117-66-2.
What is the molecular formula of Boc-cys(3,4-dimethylbenzyl)-OH?
The molecular formula of Boc-cys(3,4-dimethylbenzyl)-OH is C17H25NO4S.
What is the molecular weight of Boc-cys(3,4-dimethylbenzyl)-OH?
The molecular weight of Boc-cys(3,4-dimethylbenzyl)-OH is 339.15 g/mol.
Where can I buy Boc-cys(3,4-dimethylbenzyl)-OH?
You can request a quote for Boc-cys(3,4-dimethylbenzyl)-OH directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Boc-cys(3,4-dimethylbenzyl)-OH?
Yes, KEHONG BIO provides custom synthesis services for Boc-cys(3,4-dimethylbenzyl)-OH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.