AF-399/41726195
TL;DR: AF-399/41726195 (CAS 616214-46-1) is a chemical compound with molecular formula C18H24N2O2S and molecular weight 332.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,7,7-trimethyl-3-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)bicyclo[2.2.1]heptane-1-carboxamide
Also Known As: AF-399/41726195, 4,7,7-trimethyl-3-oxo-N-[(2E)-4,5,6,7-tetrahydro-1,3-benzothiazol-2(3H)-ylidene]bicyclo[2.2.1]heptane-1-carboxamide, (1R,4R)-4,7,7-trimethyl-3-oxo-N-(4,5,6,7-tetrahydrobenzo[d]thiazol-2-yl)bicyclo[2.2.1]heptane-1-carboxamide, 1,7,7-trimethyl-2-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)bicyclo[2.2.1]heptane-4-carboxamide, 4,7,7-trimethyl-3-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)bicyclo[2.2.1]heptane-1-carboxamide
| Molecular Formula | C18H24N2O2S |
|---|---|
| Molecular Weight | 332.16 g/mol |
| LogP | 3.7459 |
| Topological Polar Surface Area | 59.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 332.15585 |
| Heavy Atoms | 23 |
| Complexity | 684.3748 |
Chemical Identifiers
| CAS Number | 616214-46-1 |
|---|---|
| SMILES | CC1(C2(CCC1(CC2=O)C(=O)NC3=NC4=C(S3)CCCC4)C)C |
Product Overview
AF-399/41726195 (CAS 616214-46-1), with molecular formula C18H24N2O2S and molecular weight 332.16 g/mol. IUPAC: 4,7,7-trimethyl-3-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)bicyclo[2.2.1]heptane-1-carboxamide.
Chemical Property Profile of AF-399/41726195
Property Insights of AF-399/41726195
The XLogP value of 3.7459 indicates that AF-399/41726195 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.06 Ų, AF-399/41726195 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AF-399/41726195 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 AF-399/41726195?
The CAS number of AF-399/41726195 is 616214-46-1.
What is the molecular formula of AF-399/41726195?
The molecular formula of AF-399/41726195 is C18H24N2O2S.
What is the molecular weight of AF-399/41726195?
The molecular weight of AF-399/41726195 is 332.16 g/mol.
Where can I buy AF-399/41726195?
You can request a quote for AF-399/41726195 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41726195?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41726195 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.