ChemDiv1_022385
TL;DR: ChemDiv1_022385 (CAS 399001-67-3) is a chemical compound with molecular formula C16H23N3OS and molecular weight 305.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbothioamide
Also Known As: ChemDiv1_022385, F0836-0003, N-butyl-8-oxo-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carbothioamide, N-butyl-6-oxo-7,11-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4-diene-11-carbothioamide, N-butyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbothioamide
| Molecular Formula | C16H23N3OS |
|---|---|
| Molecular Weight | 305.16 g/mol |
| LogP | 1.942 |
| Topological Polar Surface Area | 37.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 305.1562 |
| Heavy Atoms | 21 |
| Complexity | 583.13 |
Chemical Identifiers
| CAS Number | 399001-67-3 |
|---|---|
| SMILES | CCCCNC(=S)N1CC2CC(C1)C3=CC=CC(=O)N3C2 |
Product Overview
ChemDiv1_022385 (CAS 399001-67-3), with molecular formula C16H23N3OS and molecular weight 305.16 g/mol. IUPAC: N-butyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbothioamide.
Chemical Property Profile of ChemDiv1_022385
Property Insights of ChemDiv1_022385
The XLogP value of 1.942 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_022385. With a topological polar surface area (TPSA) of 37.27 Ų, ChemDiv1_022385 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_022385 has 1 hydrogen bond donor(s) and 2 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 ChemDiv1_022385?
The CAS number of ChemDiv1_022385 is 399001-67-3.
What is the molecular formula of ChemDiv1_022385?
The molecular formula of ChemDiv1_022385 is C16H23N3OS.
What is the molecular weight of ChemDiv1_022385?
The molecular weight of ChemDiv1_022385 is 305.16 g/mol.
Where can I buy ChemDiv1_022385?
You can request a quote for ChemDiv1_022385 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_022385?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_022385 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.