ChemDiv2_001646
TL;DR: ChemDiv2_001646 (CAS 72031-20-0) is a chemical compound with molecular formula C18H23N3O2 and molecular weight 313.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-acetyl-3,10,13-triazatetracyclo[11.2.2.02,12.04,9]heptadeca-4,6,8-trien-10-yl)ethanone
Also Known As: ChemDiv2_001646, PSMSESDSYNREIH-UHFFFAOYSA-, 2,3,4,4a,5,10,11,11a-Octahydro-5,10-diacetyl-1,4-ethano-1H-pyrido(3,2-b)(1,5)benzodiazepine, 5,10-Diacetyl-4a,5,11,11a-tetrahydro-10H-quinuclidino(2,3-c)-1,5-benzodiazepine, 1,4-Ethano-1H-pyrido(3,2-b)(1,5)benzodiazepine, 2,3,4,4a,5,10,11,11a-octahydro-5,10-diacetyl-
| Molecular Formula | C18H23N3O2 |
|---|---|
| Molecular Weight | 313.18 g/mol |
| LogP | 1.8688 |
| Topological Polar Surface Area | 43.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 313.17902 |
| Heavy Atoms | 23 |
| Complexity | 651.4217 |
Chemical Identifiers
| CAS Number | 72031-20-0 |
|---|---|
| SMILES | CC(=O)N1CC2C(C3CCN2CC3)N(C4=CC=CC=C41)C(=O)C |
Product Overview
ChemDiv2_001646 (CAS 72031-20-0), with molecular formula C18H23N3O2 and molecular weight 313.18 g/mol. IUPAC: 1-(3-acetyl-3,10,13-triazatetracyclo[11.2.2.02,12.04,9]heptadeca-4,6,8-trien-10-yl)ethanone.
Chemical Property Profile of ChemDiv2_001646
Property Insights of ChemDiv2_001646
The XLogP value of 1.8688 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_001646. With a topological polar surface area (TPSA) of 43.86 Ų, ChemDiv2_001646 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv2_001646 has 0 hydrogen bond donor(s) and 3 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 ChemDiv2_001646?
The CAS number of ChemDiv2_001646 is 72031-20-0.
What is the molecular formula of ChemDiv2_001646?
The molecular formula of ChemDiv2_001646 is C18H23N3O2.
What is the molecular weight of ChemDiv2_001646?
The molecular weight of ChemDiv2_001646 is 313.18 g/mol.
Where can I buy ChemDiv2_001646?
You can request a quote for ChemDiv2_001646 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_001646?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_001646 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.