ChemDiv2_004320
TL;DR: ChemDiv2_004320 (CAS 672279-40-2) is a chemical compound with molecular formula C27H26N2O5 and molecular weight 458.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetyl-9-(3,4-dimethoxyphenyl)-6-(furan-2-yl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
Also Known As: ChemDiv2_004320, IDI1_003035, 1-[3-(3,4-dimethoxyphenyl)-11-(furan-2-yl)-1-hydroxy-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone, 1-(3-(3,4-dimethoxyphenyl)-11-(furan-2-yl)-1-hydroxy-3,4-dihydro-2H-dibenzo[b,e][1,4]diazepin-10(11H)-yl)ethanone, 1-[3-(3,4-dimethoxyphenyl)-11-(2-furyl)-1-hydroxy-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-1-ethanone
| Molecular Formula | C27H26N2O5 |
|---|---|
| Molecular Weight | 458.18 g/mol |
| LogP | 5.2173 |
| Topological Polar Surface Area | 81.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 458.18417 |
| Heavy Atoms | 34 |
| Complexity | 1277.9324 |
Chemical Identifiers
| CAS Number | 672279-40-2 |
|---|---|
| SMILES | CC(=O)N1C(C2=C(CC(CC2=O)C3=CC(=C(C=C3)OC)OC)NC4=CC=CC=C41)C5=CC=CO5 |
Product Overview
ChemDiv2_004320 (CAS 672279-40-2), with molecular formula C27H26N2O5 and molecular weight 458.18 g/mol. IUPAC: 5-acetyl-9-(3,4-dimethoxyphenyl)-6-(furan-2-yl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of ChemDiv2_004320
Property Insights of ChemDiv2_004320
The XLogP value of 5.2173 indicates that ChemDiv2_004320 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.01 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_004320. Following Lipinski's Rule of Five, ChemDiv2_004320 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv2_004320?
The CAS number of ChemDiv2_004320 is 672279-40-2.
What is the molecular formula of ChemDiv2_004320?
The molecular formula of ChemDiv2_004320 is C27H26N2O5.
What is the molecular weight of ChemDiv2_004320?
The molecular weight of ChemDiv2_004320 is 458.18 g/mol.
Where can I buy ChemDiv2_004320?
You can request a quote for ChemDiv2_004320 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_004320?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_004320 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.