RefChem:1086632
TL;DR: RefChem:1086632 (CAS 127654-00-6) is a chemical compound with molecular formula C26H24N2O3 and molecular weight 412.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6E)-6-(6-benzyl-5-oxopyrido[4,3-c][1]benzazepin-11-ylidene)hexanoic acid
Also Known As: (E)-6-Benzyl-11-(5-carboxypentylidene)-5,11-dihydropyrido(4,3-c)(1)benzazepin-5(6H)-one, Hexanoic acid, 6-(5,6-dihydro-5-oxo-6-(phenylmethyl)-11H-pyrido(4,3-c)(1)benzazepin-11-ylidene)-, (E)-, (6E)-6-(6-benzyl-5-oxopyrido[4,3-c][1]benzazepin-11-ylidene)hexanoic acid, RefChem:1086632
| Molecular Formula | C26H24N2O3 |
|---|---|
| Molecular Weight | 412.18 g/mol |
| LogP | 5.3187 |
| Topological Polar Surface Area | 70.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 412.17868 |
| Heavy Atoms | 31 |
| Complexity | 1122.2607 |
Chemical Identifiers
| CAS Number | 127654-00-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C3=CC=CC=C3/C(=C\CCCCC(=O)O)/C4=C(C2=O)C=CN=C4 |
Product Overview
RefChem:1086632 (CAS 127654-00-6), with molecular formula C26H24N2O3 and molecular weight 412.18 g/mol. IUPAC: (6E)-6-(6-benzyl-5-oxopyrido[4,3-c][1]benzazepin-11-ylidene)hexanoic acid.
Chemical Property Profile of RefChem:1086632
Property Insights of RefChem:1086632
The XLogP value of 5.3187 indicates that RefChem:1086632 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.5 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1086632. Following Lipinski's Rule of Five, RefChem:1086632 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1086632?
The CAS number of RefChem:1086632 is 127654-00-6.
What is the molecular formula of RefChem:1086632?
The molecular formula of RefChem:1086632 is C26H24N2O3.
What is the molecular weight of RefChem:1086632?
The molecular weight of RefChem:1086632 is 412.18 g/mol.
Where can I buy RefChem:1086632?
You can request a quote for RefChem:1086632 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1086632?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1086632 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.