![3-chloro-9,9-dimethyl-6-phenyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one structure](/static/products/3922/39222-68-9.webp)
3-chloro-9,9-dimethyl-6-phenyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
TL;DR: 3-chloro-9,9-dimethyl-6-phenyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one (CAS 39222-68-9) is a chemical compound with molecular formula C21H21ClN2O and molecular weight 352.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-9,9-dimethyl-6-phenyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
Also Known As: 3-chloro-9,9-dimethyl-6-phenyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one, 8-Chloro-3,3-dimethyl-11-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo(b,e)(1,4)diazepin-1-one, 8-Chloro-3,3-dimethyl-11-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 3-chloro-9,9-dimethyl-6-phenyl-6,8,10,11-tetrahydro-5H-benzo
| Molecular Formula | C21H21ClN2O |
|---|---|
| Molecular Weight | 352.13 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 352.13425 |
| Heavy Atoms | 25 |
| Complexity | 564.0 |
Chemical Identifiers
| CAS Number | 39222-68-9 |
|---|---|
| SMILES | CC1(CC2=C(C(NC3=C(N2)C=CC(=C3)Cl)C4=CC=CC=C4)C(=O)C1)C |
| InChIKey | HPENASYRRYAWPO-UHFFFAOYSA-N |
Product Overview
3-chloro-9,9-dimethyl-6-phenyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one (CAS 39222-68-9), with molecular formula C21H21ClN2O and molecular weight 352.13 g/mol. IUPAC: 3-chloro-9,9-dimethyl-6-phenyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of 3-chloro-9,9-dimethyl-6-phenyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
Property Insights of 3-chloro-9,9-dimethyl-6-phenyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
The XLogP value of 4.9 indicates that 3-chloro-9,9-dimethyl-6-phenyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.1 Ų, 3-chloro-9,9-dimethyl-6-phenyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-chloro-9,9-dimethyl-6-phenyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one has 2 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 3-chloro-9,9-dimethyl-6-phenyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one?
The CAS number of 3-chloro-9,9-dimethyl-6-phenyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one is 39222-68-9.
What is the molecular formula of 3-chloro-9,9-dimethyl-6-phenyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one?
The molecular formula of 3-chloro-9,9-dimethyl-6-phenyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one is C21H21ClN2O.
What is the molecular weight of 3-chloro-9,9-dimethyl-6-phenyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one?
The molecular weight of 3-chloro-9,9-dimethyl-6-phenyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one is 352.13 g/mol.
Where can I buy 3-chloro-9,9-dimethyl-6-phenyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one?
You can request a quote for 3-chloro-9,9-dimethyl-6-phenyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-chloro-9,9-dimethyl-6-phenyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-9,9-dimethyl-6-phenyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.