(1S,4S)-N-(benzo[d]thiazol-2-yl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
TL;DR: (1S,4S)-N-(benzo[d]thiazol-2-yl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide (CAS 326916-87-4) is a chemical compound with molecular formula C18H20N2O2S and molecular weight 328.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzothiazol-2-yl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
Also Known As: (1S,4S)-N-(benzo[d]thiazol-2-yl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide, N-(1,3-benzothiazol-2-yl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide, N-benzothiazol-2-yl(4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptyl)carboxamide, N-(1,3-benzothiazol-2-yl)-1,7,7-trimethyl-2-oxobicyclo[2.2.1]heptane-4-carboxamide, N-[(2E)-1,3-benzothiazol-2(3H)-ylidene]-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
| Molecular Formula | C18H20N2O2S |
|---|---|
| Molecular Weight | 328.12 g/mol |
| LogP | 4.0203 |
| Topological Polar Surface Area | 59.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 328.12454 |
| Heavy Atoms | 23 |
| Complexity | 807.4141 |
Chemical Identifiers
| CAS Number | 326916-87-4 |
|---|---|
| SMILES | CC1(C2(CCC1(CC2=O)C(=O)NC3=NC4=CC=CC=C4S3)C)C |
Product Overview
(1S,4S)-N-(benzo[d]thiazol-2-yl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide (CAS 326916-87-4), with molecular formula C18H20N2O2S and molecular weight 328.12 g/mol. IUPAC: N-(1,3-benzothiazol-2-yl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide.
Chemical Property Profile of (1S,4S)-N-(benzo[d]thiazol-2-yl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
Property Insights of (1S,4S)-N-(benzo[d]thiazol-2-yl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
The XLogP value of 4.0203 indicates that (1S,4S)-N-(benzo[d]thiazol-2-yl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-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, (1S,4S)-N-(benzo[d]thiazol-2-yl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1S,4S)-N-(benzo[d]thiazol-2-yl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-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 (1S,4S)-N-(benzo[d]thiazol-2-yl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
The CAS number of (1S,4S)-N-(benzo[d]thiazol-2-yl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide is 326916-87-4.
What is the molecular formula of (1S,4S)-N-(benzo[d]thiazol-2-yl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
The molecular formula of (1S,4S)-N-(benzo[d]thiazol-2-yl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide is C18H20N2O2S.
What is the molecular weight of (1S,4S)-N-(benzo[d]thiazol-2-yl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
The molecular weight of (1S,4S)-N-(benzo[d]thiazol-2-yl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide is 328.12 g/mol.
Where can I buy (1S,4S)-N-(benzo[d]thiazol-2-yl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
You can request a quote for (1S,4S)-N-(benzo[d]thiazol-2-yl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1S,4S)-N-(benzo[d]thiazol-2-yl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for (1S,4S)-N-(benzo[d]thiazol-2-yl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.