RefChem:1085996
TL;DR: RefChem:1085996 (CAS 109523-96-8) is a chemical compound with molecular formula C23H26ClNO6 and molecular weight 447.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;[4-(2-chlorophenyl)phenyl]methyl 2-(diethylamino)acetate
Also Known As: F 2870, 2'-Chloro-4-(diethylaminoacetoxymethyl)biphenyl hydrogen maleate, N,N-Diethylglycine (2'-chloro(1,1'-biphenyl)-4-yl)methyl ester (Z)-2-butenedioate (1:1), Glycine, N,N-diethyl-, (2'-chloro(1,1'-biphenyl)-4-yl)methyl ester, (Z)-2-butenedioate (1:1), (E)-but-2-enedioic acid;[4-(2-chlorophenyl)phenyl]methyl 2-(diethylamino)acetate
| Molecular Formula | C23H26ClNO6 |
|---|---|
| Molecular Weight | 447.14 g/mol |
| LogP | 4.1038 |
| Topological Polar Surface Area | 104.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 447.14487 |
| Heavy Atoms | 31 |
| Complexity | 875.19464 |
Chemical Identifiers
| CAS Number | 109523-96-8 |
|---|---|
| SMILES | CCN(CC)CC(=O)OCC1=CC=C(C=C1)C2=CC=CC=C2Cl.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1085996 (CAS 109523-96-8), with molecular formula C23H26ClNO6 and molecular weight 447.14 g/mol. IUPAC: (E)-but-2-enedioic acid;[4-(2-chlorophenyl)phenyl]methyl 2-(diethylamino)acetate.
Chemical Property Profile of RefChem:1085996
Property Insights of RefChem:1085996
The XLogP value of 4.1038 indicates that RefChem:1085996 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.14 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1085996. Following Lipinski's Rule of Five, RefChem:1085996 has 2 hydrogen bond donor(s) and 5 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:1085996?
The CAS number of RefChem:1085996 is 109523-96-8.
What is the molecular formula of RefChem:1085996?
The molecular formula of RefChem:1085996 is C23H26ClNO6.
What is the molecular weight of RefChem:1085996?
The molecular weight of RefChem:1085996 is 447.14 g/mol.
Where can I buy RefChem:1085996?
You can request a quote for RefChem:1085996 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1085996?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1085996 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.