2-Oxo-3-boc-tabnca
TL;DR: 2-Oxo-3-boc-tabnca (CAS 124602-20-6) is a chemical compound with molecular formula C13H20N2O5S and molecular weight 316.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid
Also Known As: 2-Oxo-3-boc-tabnca, 2-isobutyl-pyrrolidine, 2-Oxo-3-tert-butyloxycarbonylamino-7-thia-1-azabicyclo(4.3.0)nonane-9-carboxylic acid, 6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid, (3R-(3alpha,6alpha,8aalpha))-6-(((1,1-Dimethylethoxy)carbonyl)amino)hexahydro-5-oxo-5H-thiazolo(3,2a)pyridine-3-carboxylic acid
| Molecular Formula | C13H20N2O5S |
|---|---|
| Molecular Weight | 316.11 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 316.10928 |
| Heavy Atoms | 21 |
| Complexity | 462.0 |
Chemical Identifiers
| CAS Number | 124602-20-6 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC1CCC2N(C1=O)C(CS2)C(=O)O |
| InChIKey | GSKFHLHROGBPGR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Oxo-3-boc-tabnca (CAS 124602-20-6), with molecular formula C13H20N2O5S and molecular weight 316.11 g/mol. IUPAC: 6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid.
Chemical Property Profile of 2-Oxo-3-boc-tabnca
Property Insights of 2-Oxo-3-boc-tabnca
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Oxo-3-boc-tabnca. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Oxo-3-boc-tabnca. Following Lipinski's Rule of Five, 2-Oxo-3-boc-tabnca 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 2-Oxo-3-boc-tabnca?
The CAS number of 2-Oxo-3-boc-tabnca is 124602-20-6.
What is the molecular formula of 2-Oxo-3-boc-tabnca?
The molecular formula of 2-Oxo-3-boc-tabnca is C13H20N2O5S.
What is the molecular weight of 2-Oxo-3-boc-tabnca?
The molecular weight of 2-Oxo-3-boc-tabnca is 316.11 g/mol.
Where can I buy 2-Oxo-3-boc-tabnca?
You can request a quote for 2-Oxo-3-boc-tabnca directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Oxo-3-boc-tabnca?
Yes, KEHONG BIO provides custom synthesis services for 2-Oxo-3-boc-tabnca and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.