![1,7,7-trimethyl-N-(5-nitro-1,3-thiazol-2-yl)-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxamide structure](/static/products/838/838255-91-7.png)
1,7,7-trimethyl-N-(5-nitro-1,3-thiazol-2-yl)-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxamide
TL;DR: 1,7,7-trimethyl-N-(5-nitro-1,3-thiazol-2-yl)-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxamide (CAS 838255-91-7) is a chemical compound with molecular formula C13H15N3O5S and molecular weight 325.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,7,7-trimethyl-N-(5-nitro-1,3-thiazol-2-yl)-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide
Also Known As: 1,7,7-trimethyl-N-(5-nitro-1,3-thiazol-2-yl)-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxamide, 4,7,7-trimethyl-N-(5-nitro-1,3-thiazol-2-yl)-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide, 1,7,7-trimethyl-N-(5-nitro-2-thiazolyl)-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxamide, 2-keto-1,7,7-trimethyl-N-(5-nitrothiazol-2-yl)-3-oxabicyclo[2.2.1]heptane-4-carboxamide, (1S,4S)-4,7,7-trimethyl-N-(5-nitrothiazol-2-yl)-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide
| Molecular Formula | C13H15N3O5S |
|---|---|
| Molecular Weight | 325.07 g/mol |
| LogP | 2.1117 |
| Topological Polar Surface Area | 111.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 325.07324 |
| Heavy Atoms | 22 |
| Complexity | 699.6026 |
Chemical Identifiers
| CAS Number | 838255-91-7 |
|---|---|
| SMILES | CC1(C2(CCC1(OC2=O)C(=O)NC3=NC=C(S3)[N+](=O)[O-])C)C |
Product Overview
1,7,7-trimethyl-N-(5-nitro-1,3-thiazol-2-yl)-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxamide (CAS 838255-91-7), with molecular formula C13H15N3O5S and molecular weight 325.07 g/mol. IUPAC: 4,7,7-trimethyl-N-(5-nitro-1,3-thiazol-2-yl)-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide.
Chemical Property Profile of 1,7,7-trimethyl-N-(5-nitro-1,3-thiazol-2-yl)-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxamide
Property Insights of 1,7,7-trimethyl-N-(5-nitro-1,3-thiazol-2-yl)-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxamide
The XLogP value of 2.1117 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,7,7-trimethyl-N-(5-nitro-1,3-thiazol-2-yl)-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxamide. The TPSA of 111.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,7,7-trimethyl-N-(5-nitro-1,3-thiazol-2-yl)-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxamide. Following Lipinski's Rule of Five, 1,7,7-trimethyl-N-(5-nitro-1,3-thiazol-2-yl)-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxamide has 1 hydrogen bond donor(s) and 7 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 1,7,7-trimethyl-N-(5-nitro-1,3-thiazol-2-yl)-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxamide?
The CAS number of 1,7,7-trimethyl-N-(5-nitro-1,3-thiazol-2-yl)-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxamide is 838255-91-7.
What is the molecular formula of 1,7,7-trimethyl-N-(5-nitro-1,3-thiazol-2-yl)-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxamide?
The molecular formula of 1,7,7-trimethyl-N-(5-nitro-1,3-thiazol-2-yl)-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxamide is C13H15N3O5S.
What is the molecular weight of 1,7,7-trimethyl-N-(5-nitro-1,3-thiazol-2-yl)-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxamide?
The molecular weight of 1,7,7-trimethyl-N-(5-nitro-1,3-thiazol-2-yl)-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxamide is 325.07 g/mol.
Where can I buy 1,7,7-trimethyl-N-(5-nitro-1,3-thiazol-2-yl)-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxamide?
You can request a quote for 1,7,7-trimethyl-N-(5-nitro-1,3-thiazol-2-yl)-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,7,7-trimethyl-N-(5-nitro-1,3-thiazol-2-yl)-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 1,7,7-trimethyl-N-(5-nitro-1,3-thiazol-2-yl)-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.