![4-{[(Tert-butoxy)carbonyl]amino}thiane-4-carboxylic acid structure](/static/products/1083/108329-81-3.webp)
4-{[(Tert-butoxy)carbonyl]amino}thiane-4-carboxylic acid
TL;DR: 4-{[(Tert-butoxy)carbonyl]amino}thiane-4-carboxylic acid (CAS 108329-81-3) is a chemical compound with molecular formula C11H19NO4S and molecular weight 261.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2-methylpropan-2-yl)oxycarbonylamino]thiane-4-carboxylic acid
Also Known As: 4-(Boc-amino)tetrahydrothiopyran-4-carboxylic acid, 4-{[(tert-butoxy)carbonyl]amino}thiane-4-carboxylic acid, 4-[(2-methylpropan-2-yl)oxycarbonylamino]thiane-4-carboxylic Acid, 4-N-BOC-AMINO-4-CARBOXYTETRAHYDROTHIOPYRAN, BOC-AMINO-4-CARBOXYTETRAHYDROTHIOPYRAN
| Molecular Formula | C11H19NO4S |
|---|---|
| Molecular Weight | 261.10 g/mol |
| LogP | 1.8615 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 261.1035 |
| Heavy Atoms | 17 |
| Complexity | 305.08353 |
Chemical Identifiers
| CAS Number | 108329-81-3 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC1(CCSCC1)C(=O)O |
Product Overview
4-{[(Tert-butoxy)carbonyl]amino}thiane-4-carboxylic acid (CAS 108329-81-3), with molecular formula C11H19NO4S and molecular weight 261.10 g/mol. IUPAC: 4-[(2-methylpropan-2-yl)oxycarbonylamino]thiane-4-carboxylic acid.
Chemical Property Profile of 4-{[(Tert-butoxy)carbonyl]amino}thiane-4-carboxylic acid
Property Insights of 4-{[(Tert-butoxy)carbonyl]amino}thiane-4-carboxylic acid
The XLogP value of 1.8615 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[(Tert-butoxy)carbonyl]amino}thiane-4-carboxylic acid. The TPSA of 75.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[(Tert-butoxy)carbonyl]amino}thiane-4-carboxylic acid. Following Lipinski's Rule of Five, 4-{[(Tert-butoxy)carbonyl]amino}thiane-4-carboxylic acid 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 4-{[(Tert-butoxy)carbonyl]amino}thiane-4-carboxylic acid?
The CAS number of 4-{[(Tert-butoxy)carbonyl]amino}thiane-4-carboxylic acid is 108329-81-3.
What is the molecular formula of 4-{[(Tert-butoxy)carbonyl]amino}thiane-4-carboxylic acid?
The molecular formula of 4-{[(Tert-butoxy)carbonyl]amino}thiane-4-carboxylic acid is C11H19NO4S.
What is the molecular weight of 4-{[(Tert-butoxy)carbonyl]amino}thiane-4-carboxylic acid?
The molecular weight of 4-{[(Tert-butoxy)carbonyl]amino}thiane-4-carboxylic acid is 261.10 g/mol.
Where can I buy 4-{[(Tert-butoxy)carbonyl]amino}thiane-4-carboxylic acid?
You can request a quote for 4-{[(Tert-butoxy)carbonyl]amino}thiane-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[(Tert-butoxy)carbonyl]amino}thiane-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(Tert-butoxy)carbonyl]amino}thiane-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.