10-Acetyl-4a,5,11,11a-tetrahydro-10H-quinuclidino(2,3-c)-1,5-benzodiazepine
TL;DR: 10-Acetyl-4a,5,11,11a-tetrahydro-10H-quinuclidino(2,3-c)-1,5-benzodiazepine (CAS 72031-18-6) is a chemical compound with molecular formula C16H21N3O and molecular weight 271.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,10,13-triazatetracyclo[11.2.2.02,12.04,9]heptadeca-4,6,8-trien-10-yl)ethanone
Also Known As: 10-Acetyl-4a,5,11,11a-tetrahydro-10H-quinuclidino(2,3-c)-1,5-benzodiazepine, 2,3,4,4a,5,10,11,11a-Octahydro-10-acetyl-1,4-ethano-1H-pyrido(3,2-b)(1,5)benzodiazepine, 1,4-Ethano-1H-pyrido(3,2-b)(1,5)benzodiazepine, 2,3,4,4a,5,10,11,11a-octahydro-10-acetyl-, 1-(3,4,4a,5,11,11a-Hexahydro-1,4-ethanopyrido[3,2-b][1,5]benzodiazepin-10(2H)-yl)ethan-1-one, RefChem:220914
| Molecular Formula | C16H21N3O |
|---|---|
| Molecular Weight | 271.17 g/mol |
| LogP | 1.9278 |
| Topological Polar Surface Area | 35.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 271.16846 |
| Heavy Atoms | 20 |
| Complexity | 536.27844 |
Chemical Identifiers
| CAS Number | 72031-18-6 |
|---|---|
| SMILES | CC(=O)N1CC2C(C3CCN2CC3)NC4=CC=CC=C41 |
Product Overview
10-Acetyl-4a,5,11,11a-tetrahydro-10H-quinuclidino(2,3-c)-1,5-benzodiazepine (CAS 72031-18-6), with molecular formula C16H21N3O and molecular weight 271.17 g/mol. IUPAC: 1-(3,10,13-triazatetracyclo[11.2.2.02,12.04,9]heptadeca-4,6,8-trien-10-yl)ethanone.
Chemical Property Profile of 10-Acetyl-4a,5,11,11a-tetrahydro-10H-quinuclidino(2,3-c)-1,5-benzodiazepine
Property Insights of 10-Acetyl-4a,5,11,11a-tetrahydro-10H-quinuclidino(2,3-c)-1,5-benzodiazepine
The XLogP value of 1.9278 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 10-Acetyl-4a,5,11,11a-tetrahydro-10H-quinuclidino(2,3-c)-1,5-benzodiazepine. With a topological polar surface area (TPSA) of 35.58 Ų, 10-Acetyl-4a,5,11,11a-tetrahydro-10H-quinuclidino(2,3-c)-1,5-benzodiazepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 10-Acetyl-4a,5,11,11a-tetrahydro-10H-quinuclidino(2,3-c)-1,5-benzodiazepine has 1 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 10-Acetyl-4a,5,11,11a-tetrahydro-10H-quinuclidino(2,3-c)-1,5-benzodiazepine?
The CAS number of 10-Acetyl-4a,5,11,11a-tetrahydro-10H-quinuclidino(2,3-c)-1,5-benzodiazepine is 72031-18-6.
What is the molecular formula of 10-Acetyl-4a,5,11,11a-tetrahydro-10H-quinuclidino(2,3-c)-1,5-benzodiazepine?
The molecular formula of 10-Acetyl-4a,5,11,11a-tetrahydro-10H-quinuclidino(2,3-c)-1,5-benzodiazepine is C16H21N3O.
What is the molecular weight of 10-Acetyl-4a,5,11,11a-tetrahydro-10H-quinuclidino(2,3-c)-1,5-benzodiazepine?
The molecular weight of 10-Acetyl-4a,5,11,11a-tetrahydro-10H-quinuclidino(2,3-c)-1,5-benzodiazepine is 271.17 g/mol.
Where can I buy 10-Acetyl-4a,5,11,11a-tetrahydro-10H-quinuclidino(2,3-c)-1,5-benzodiazepine?
You can request a quote for 10-Acetyl-4a,5,11,11a-tetrahydro-10H-quinuclidino(2,3-c)-1,5-benzodiazepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10-Acetyl-4a,5,11,11a-tetrahydro-10H-quinuclidino(2,3-c)-1,5-benzodiazepine?
Yes, KEHONG BIO provides custom synthesis services for 10-Acetyl-4a,5,11,11a-tetrahydro-10H-quinuclidino(2,3-c)-1,5-benzodiazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.