AE-848/42025420
TL;DR: AE-848/42025420 (CAS 524002-77-5) is a chemical compound with molecular formula C27H27N3O4 and molecular weight 457.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-pyridin-4-yl-9-(3,4,5-trimethoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: AE-848/42025420, A3193/0135326, 6-pyridin-4-yl-9-(3,4,5-trimethoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one, 11-(pyridin-4-yl)-3-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 11-(4-pyridinyl)-3-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
| Molecular Formula | C27H27N3O4 |
|---|---|
| Molecular Weight | 457.20 g/mol |
| LogP | 5.0869 |
| Topological Polar Surface Area | 81.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 457.20016 |
| Heavy Atoms | 34 |
| Complexity | 1230.735 |
Chemical Identifiers
| CAS Number | 524002-77-5 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC=NC=C5)C(=O)C2 |
Product Overview
AE-848/42025420 (CAS 524002-77-5), with molecular formula C27H27N3O4 and molecular weight 457.20 g/mol. IUPAC: 6-pyridin-4-yl-9-(3,4,5-trimethoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of AE-848/42025420
Property Insights of AE-848/42025420
The XLogP value of 5.0869 indicates that AE-848/42025420 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.71 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-848/42025420. Following Lipinski's Rule of Five, AE-848/42025420 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AE-848/42025420?
The CAS number of AE-848/42025420 is 524002-77-5.
What is the molecular formula of AE-848/42025420?
The molecular formula of AE-848/42025420 is C27H27N3O4.
What is the molecular weight of AE-848/42025420?
The molecular weight of AE-848/42025420 is 457.20 g/mol.
Where can I buy AE-848/42025420?
You can request a quote for AE-848/42025420 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/42025420?
Yes, KEHONG BIO provides custom synthesis services for AE-848/42025420 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.