ChemDiv1_003619
TL;DR: ChemDiv1_003619 (CAS 337502-64-4) is a chemical compound with molecular formula C28H27ClN2O3 and molecular weight 474.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(4-chlorophenyl)acetyl]-9,9-dimethyl-6-(5-methylfuran-2-yl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: ChemDiv1_003619, BAS 01355390, 10-[(4-chlorophenyl)acetyl]-3,3-dimethyl-11-(5-methyl-2-furyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 5-[2-(4-chlorophenyl)acetyl]-9,9-dimethyl-6-(5-methylfuran-2-yl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one, 10-(2-(4-chlorophenyl)acetyl)-3,3-dimethyl-11-(5-methylfuran-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
| Molecular Formula | C28H27ClN2O3 |
|---|---|
| Molecular Weight | 474.17 g/mol |
| LogP | 6.62712 |
| Topological Polar Surface Area | 62.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 474.17102 |
| Heavy Atoms | 34 |
| Complexity | 1303.1952 |
Chemical Identifiers
| CAS Number | 337502-64-4 |
|---|---|
| SMILES | CC1=CC=C(O1)C2C3=C(CC(CC3=O)(C)C)NC4=CC=CC=C4N2C(=O)CC5=CC=C(C=C5)Cl |
Product Overview
ChemDiv1_003619 (CAS 337502-64-4), with molecular formula C28H27ClN2O3 and molecular weight 474.17 g/mol. IUPAC: 5-[2-(4-chlorophenyl)acetyl]-9,9-dimethyl-6-(5-methylfuran-2-yl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of ChemDiv1_003619
Property Insights of ChemDiv1_003619
The XLogP value of 6.62712 indicates that ChemDiv1_003619 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.55 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_003619. Following Lipinski's Rule of Five, ChemDiv1_003619 has 1 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 ChemDiv1_003619?
The CAS number of ChemDiv1_003619 is 337502-64-4.
What is the molecular formula of ChemDiv1_003619?
The molecular formula of ChemDiv1_003619 is C28H27ClN2O3.
What is the molecular weight of ChemDiv1_003619?
The molecular weight of ChemDiv1_003619 is 474.17 g/mol.
Where can I buy ChemDiv1_003619?
You can request a quote for ChemDiv1_003619 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003619?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003619 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.