ChemDiv1_005354
TL;DR: ChemDiv1_005354 (CAS 312622-23-4) is a chemical compound with molecular formula C30H31N3O2 and molecular weight 465.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzoyl-6-[4-(dimethylamino)phenyl]-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
Also Known As: ChemDiv1_005354, BAS 01355674, 2-benzoyl-6-[4-(dimethylamino)phenyl]-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one, 7-benzoyl-11-[4-(dimethylamino)phenyl]-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 11-[4-(dimethylamino)phenyl]-3,3-dimethyl-7-(phenylcarbonyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
| Molecular Formula | C30H31N3O2 |
|---|---|
| Molecular Weight | 465.24 g/mol |
| LogP | 6.2055 |
| Topological Polar Surface Area | 61.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 465.24164 |
| Heavy Atoms | 35 |
| Complexity | 1321.4674 |
Chemical Identifiers
| CAS Number | 312622-23-4 |
|---|---|
| SMILES | CC1(CC2=C(C(NC3=C(N2)C=C(C=C3)C(=O)C4=CC=CC=C4)C5=CC=C(C=C5)N(C)C)C(=O)C1)C |
Product Overview
ChemDiv1_005354 (CAS 312622-23-4), with molecular formula C30H31N3O2 and molecular weight 465.24 g/mol. IUPAC: 2-benzoyl-6-[4-(dimethylamino)phenyl]-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of ChemDiv1_005354
Property Insights of ChemDiv1_005354
The XLogP value of 6.2055 indicates that ChemDiv1_005354 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.44 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_005354. Following Lipinski's Rule of Five, ChemDiv1_005354 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_005354?
The CAS number of ChemDiv1_005354 is 312622-23-4.
What is the molecular formula of ChemDiv1_005354?
The molecular formula of ChemDiv1_005354 is C30H31N3O2.
What is the molecular weight of ChemDiv1_005354?
The molecular weight of ChemDiv1_005354 is 465.24 g/mol.
Where can I buy ChemDiv1_005354?
You can request a quote for ChemDiv1_005354 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005354?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005354 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.