RefChem:1056842
TL;DR: RefChem:1056842 (CAS 40411-10-7) is a chemical compound with molecular formula C25H28ClNO5 and molecular weight 457.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;(3Z)-3-(8-chloro-4-phenyl-3,4-dihydro-2H-1-benzoxepin-5-ylidene)-N,N-dimethylpropan-1-amine
Also Known As: 4-Phenyl-5-(3-dimethylaminopropylidene)-8-chloro-2,3,4,5-tetrahydro-1-benzoxepin maleate, 1-Propanamine, 3-(8-chloro-3,4-dihydro-4-phenyl-1-benzoxepin-5(2H)-ylidene)-N,N-dimethyl-, (Z)-2-butenedioate (1:1), (E)-but-2-enedioic acid; (3Z)-3-(8-chloro-4-phenyl-3,4-dihydro-2H-1-benzoxepin-5-ylidene)-N,N-dimethylpropan-1-amine, RefChem:1056842
| Molecular Formula | C25H28ClNO5 |
|---|---|
| Molecular Weight | 457.17 g/mol |
| LogP | 4.9532 |
| Topological Polar Surface Area | 87.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 457.1656 |
| Heavy Atoms | 32 |
| Complexity | 953.5525 |
Chemical Identifiers
| CAS Number | 40411-10-7 |
|---|---|
| SMILES | CN(C)CC/C=C\1/C(CCOC2=C1C=CC(=C2)Cl)C3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1056842 (CAS 40411-10-7), with molecular formula C25H28ClNO5 and molecular weight 457.17 g/mol. IUPAC: (E)-but-2-enedioic acid;(3Z)-3-(8-chloro-4-phenyl-3,4-dihydro-2H-1-benzoxepin-5-ylidene)-N,N-dimethylpropan-1-amine.
Chemical Property Profile of RefChem:1056842
Property Insights of RefChem:1056842
The XLogP value of 4.9532 indicates that RefChem:1056842 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.07 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1056842. Following Lipinski's Rule of Five, RefChem:1056842 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1056842?
The CAS number of RefChem:1056842 is 40411-10-7.
What is the molecular formula of RefChem:1056842?
The molecular formula of RefChem:1056842 is C25H28ClNO5.
What is the molecular weight of RefChem:1056842?
The molecular weight of RefChem:1056842 is 457.17 g/mol.
Where can I buy RefChem:1056842?
You can request a quote for RefChem:1056842 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056842?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056842 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.