![N-(1,3-benzothiazol-2-yl)-2,2-dimethyl-3-oxobicyclo[2.2.1]heptane-4-carboxamide structure](/static/products/5869/586991-08-4.webp)
N-(1,3-benzothiazol-2-yl)-2,2-dimethyl-3-oxobicyclo[2.2.1]heptane-4-carboxamide
TL;DR: N-(1,3-benzothiazol-2-yl)-2,2-dimethyl-3-oxobicyclo[2.2.1]heptane-4-carboxamide (CAS 586991-08-4) is a chemical compound with molecular formula C17H18N2O2S and molecular weight 314.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzothiazol-2-yl)-3,3-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide
Also Known As: AF-399/42176913, N-(1,3-benzothiazol-2-yl)-2,2-dimethyl-3-oxobicyclo[2.2.1]heptane-4-carboxamide, N-(1,3-benzothiazol-2-yl)-3,3-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide, N-benzothiazol-2-yl(3,3-dimethyl-2-oxobicyclo[2.2.1]heptyl)carboxamide, n-1,3-benzothiazol-2-yl-3,3-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide
| Molecular Formula | C17H18N2O2S |
|---|---|
| Molecular Weight | 314.11 g/mol |
| LogP | 3.6302 |
| Topological Polar Surface Area | 59.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 314.1089 |
| Heavy Atoms | 22 |
| Complexity | 761.8078 |
Chemical Identifiers
| CAS Number | 586991-08-4 |
|---|---|
| SMILES | CC1(C2CCC(C2)(C1=O)C(=O)NC3=NC4=CC=CC=C4S3)C |
Product Overview
N-(1,3-benzothiazol-2-yl)-2,2-dimethyl-3-oxobicyclo[2.2.1]heptane-4-carboxamide (CAS 586991-08-4), with molecular formula C17H18N2O2S and molecular weight 314.11 g/mol. IUPAC: N-(1,3-benzothiazol-2-yl)-3,3-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide.
Chemical Property Profile of N-(1,3-benzothiazol-2-yl)-2,2-dimethyl-3-oxobicyclo[2.2.1]heptane-4-carboxamide
Property Insights of N-(1,3-benzothiazol-2-yl)-2,2-dimethyl-3-oxobicyclo[2.2.1]heptane-4-carboxamide
The XLogP value of 3.6302 indicates that N-(1,3-benzothiazol-2-yl)-2,2-dimethyl-3-oxobicyclo[2.2.1]heptane-4-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.06 Ų, N-(1,3-benzothiazol-2-yl)-2,2-dimethyl-3-oxobicyclo[2.2.1]heptane-4-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1,3-benzothiazol-2-yl)-2,2-dimethyl-3-oxobicyclo[2.2.1]heptane-4-carboxamide has 1 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 N-(1,3-benzothiazol-2-yl)-2,2-dimethyl-3-oxobicyclo[2.2.1]heptane-4-carboxamide?
The CAS number of N-(1,3-benzothiazol-2-yl)-2,2-dimethyl-3-oxobicyclo[2.2.1]heptane-4-carboxamide is 586991-08-4.
What is the molecular formula of N-(1,3-benzothiazol-2-yl)-2,2-dimethyl-3-oxobicyclo[2.2.1]heptane-4-carboxamide?
The molecular formula of N-(1,3-benzothiazol-2-yl)-2,2-dimethyl-3-oxobicyclo[2.2.1]heptane-4-carboxamide is C17H18N2O2S.
What is the molecular weight of N-(1,3-benzothiazol-2-yl)-2,2-dimethyl-3-oxobicyclo[2.2.1]heptane-4-carboxamide?
The molecular weight of N-(1,3-benzothiazol-2-yl)-2,2-dimethyl-3-oxobicyclo[2.2.1]heptane-4-carboxamide is 314.11 g/mol.
Where can I buy N-(1,3-benzothiazol-2-yl)-2,2-dimethyl-3-oxobicyclo[2.2.1]heptane-4-carboxamide?
You can request a quote for N-(1,3-benzothiazol-2-yl)-2,2-dimethyl-3-oxobicyclo[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 N-(1,3-benzothiazol-2-yl)-2,2-dimethyl-3-oxobicyclo[2.2.1]heptane-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzothiazol-2-yl)-2,2-dimethyl-3-oxobicyclo[2.2.1]heptane-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.