![4-({2-[(Tert-butoxycarbonyl)amino]-2-carboxyethyl}sulfanyl)butanoic acid structure](/static/products/1396/1396971-27-9.webp)
4-({2-[(Tert-butoxycarbonyl)amino]-2-carboxyethyl}sulfanyl)butanoic acid
TL;DR: 4-({2-[(Tert-butoxycarbonyl)amino]-2-carboxyethyl}sulfanyl)butanoic acid (CAS 1396971-27-9) is a chemical compound with molecular formula C12H21NO6S and molecular weight 307.10895 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[2-carboxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]sulfanylbutanoic acid
Also Known As: 4-({2-[(tert-butoxycarbonyl)amino]-2-carboxyethyl}sulfanyl)butanoic acid, 4-[2-carboxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]sulfanylbutanoic Acid, 12P-131, 4-[(2-{[(tert-butoxy)carbonyl]amino}-2-carboxyethyl)sulfanyl]butanoic acid, 4-[(2-{[(tert-butoxy)carbonyl]amino}-2-carboxyethyl)sulfanyl]butanoicacid
Technical Specifications
| Molecular Formula | C12H21NO6S |
| Molecular Weight | 307.10895 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 138.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 307.10895 Da |
| Heavy Atoms | 20 |
| Complexity | 352.0 |
| SMILES | CC(C)(C)OC(=O)NC(CSCCCC(=O)O)C(=O)O |
| InChIKey | JNLXXEXGPIWUOH-UHFFFAOYSA-N |
Chemical Property Profile of 4-({2-[(Tert-butoxycarbonyl)amino]-2-carboxyethyl}sulfanyl)butanoic acid
Property Insights of 4-({2-[(Tert-butoxycarbonyl)amino]-2-carboxyethyl}sulfanyl)butanoic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-({2-[(Tert-butoxycarbonyl)amino]-2-carboxyethyl}sulfanyl)butanoic acid. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-({2-[(Tert-butoxycarbonyl)amino]-2-carboxyethyl}sulfanyl)butanoic acid. Following Lipinski's Rule of Five, 4-({2-[(Tert-butoxycarbonyl)amino]-2-carboxyethyl}sulfanyl)butanoic acid has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-({2-[(Tert-butoxycarbonyl)amino]-2-carboxyethyl}sulfanyl)butanoic acid?
The CAS number of 4-({2-[(Tert-butoxycarbonyl)amino]-2-carboxyethyl}sulfanyl)butanoic acid is 1396971-27-9.
What is the molecular formula of 4-({2-[(Tert-butoxycarbonyl)amino]-2-carboxyethyl}sulfanyl)butanoic acid?
The molecular formula of 4-({2-[(Tert-butoxycarbonyl)amino]-2-carboxyethyl}sulfanyl)butanoic acid is C12H21NO6S.
What is the molecular weight of 4-({2-[(Tert-butoxycarbonyl)amino]-2-carboxyethyl}sulfanyl)butanoic acid?
The molecular weight of 4-({2-[(Tert-butoxycarbonyl)amino]-2-carboxyethyl}sulfanyl)butanoic acid is 307.10895 g/mol.
Where can I buy 4-({2-[(Tert-butoxycarbonyl)amino]-2-carboxyethyl}sulfanyl)butanoic acid?
You can request a quote for 4-({2-[(Tert-butoxycarbonyl)amino]-2-carboxyethyl}sulfanyl)butanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-({2-[(Tert-butoxycarbonyl)amino]-2-carboxyethyl}sulfanyl)butanoic acid?
Yes, CoreyChem provides custom synthesis services for 4-({2-[(Tert-butoxycarbonyl)amino]-2-carboxyethyl}sulfanyl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.