Einecs 250-013-2
TL;DR: Einecs 250-013-2 (CAS 30044-61-2) is a chemical compound with molecular formula C12H23NO4S2 and molecular weight 309.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(tert-butyldisulfanyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Also Known As: Boc-Cys(StBu)-OH, Boc-S-tert-butylmercapto-L-cysteine, Boc-S-tert-butylthio-L-cysteine, J1.094.896G, n-(tert-butoxycarbonyl)-3-(tert-butyldisulfanyl)alanine
| Molecular Formula | C12H23NO4S2 |
|---|---|
| Molecular Weight | 309.11 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 309.10684 |
| Heavy Atoms | 19 |
| Complexity | 321.0 |
Chemical Identifiers
| CAS Number | 30044-61-2 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC(CSSC(C)(C)C)C(=O)O |
| InChIKey | PPQRALRLGBAWHD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Einecs 250-013-2 (CAS 30044-61-2), with molecular formula C12H23NO4S2 and molecular weight 309.11 g/mol. IUPAC: 3-(tert-butyldisulfanyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.
Chemical Property Profile of Einecs 250-013-2
Property Insights of Einecs 250-013-2
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Einecs 250-013-2. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Einecs 250-013-2. Following Lipinski's Rule of Five, Einecs 250-013-2 has 2 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 Einecs 250-013-2?
The CAS number of Einecs 250-013-2 is 30044-61-2.
What is the molecular formula of Einecs 250-013-2?
The molecular formula of Einecs 250-013-2 is C12H23NO4S2.
What is the molecular weight of Einecs 250-013-2?
The molecular weight of Einecs 250-013-2 is 309.11 g/mol.
Where can I buy Einecs 250-013-2?
You can request a quote for Einecs 250-013-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 250-013-2?
Yes, KEHONG BIO provides custom synthesis services for Einecs 250-013-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.