A3351/0142216
TL;DR: A3351/0142216 (CAS 516455-82-6) is a chemical compound with molecular formula C29H27ClN4O and molecular weight 482.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1H-benzimidazol-2-ylmethyl)-6-(4-chlorophenyl)-9,9-dimethyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: A3351/0142216, 10-(1H-benzimidazol-2-ylmethyl)-11-(4-chlorophenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 10-((1H-benzo[d]imidazol-2-yl)methyl)-11-(4-chlorophenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 10-(1H-1,3-BENZIMIDAZOL-2-YLMETHYL)-11-(4-CHLOROPHENYL)-3,3-DIMETHYL-2,3,4,5,10,11-HEXAHYDRO-1H-DIBENZO[B,E][1,4]DIAZEPIN-1-ONE, 10-(1H-benzimidazol-2-ylmethyl)-11-(4-chlorophenyl)-3,3-dimethyl-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-1-ol
| Molecular Formula | C29H27ClN4O |
|---|---|
| Molecular Weight | 482.19 g/mol |
| LogP | 7.0329 |
| Topological Polar Surface Area | 61.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 482.18735 |
| Heavy Atoms | 35 |
| Complexity | 1434.5856 |
Chemical Identifiers
| CAS Number | 516455-82-6 |
|---|---|
| SMILES | CC1(CC2=C(C(N(C3=CC=CC=C3N2)CC4=NC5=CC=CC=C5N4)C6=CC=C(C=C6)Cl)C(=O)C1)C |
Product Overview
A3351/0142216 (CAS 516455-82-6), with molecular formula C29H27ClN4O and molecular weight 482.19 g/mol. IUPAC: 5-(1H-benzimidazol-2-ylmethyl)-6-(4-chlorophenyl)-9,9-dimethyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of A3351/0142216
Property Insights of A3351/0142216
The XLogP value of 7.0329 indicates that A3351/0142216 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.02 Ų falls within the moderate polarity range, balancing permeability and solubility for A3351/0142216. Following Lipinski's Rule of Five, A3351/0142216 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3351/0142216?
The CAS number of A3351/0142216 is 516455-82-6.
What is the molecular formula of A3351/0142216?
The molecular formula of A3351/0142216 is C29H27ClN4O.
What is the molecular weight of A3351/0142216?
The molecular weight of A3351/0142216 is 482.19 g/mol.
Where can I buy A3351/0142216?
You can request a quote for A3351/0142216 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3351/0142216?
Yes, KEHONG BIO provides custom synthesis services for A3351/0142216 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.