RefChem:1093945
TL;DR: RefChem:1093945 (CAS 4059-25-0) is a chemical compound with molecular formula C20H24ClNO5 and molecular weight 393.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-3-(dimethylamino)-2-methyl-1-phenylpropan-1-ol;oxalic acid
Also Known As: 4-Chloro-alpha-(2-(dimethylamino)-1-methylethyl)benzhydrol oxalate, 1-Propanol, 1-p-chlorophenyl-3-dimethylamino-2-methyl-1-phenyl-, oxalate, Benzhydrol, 4-chloro-alpha-(2-(dimethylamino)-1-methylethyl)-, oxalate (1:1), Oxalic acid--1-(4-chlorophenyl)-3-(dimethylamino)-2-methyl-1-phenylpropan-1-ol (1/1), 1-(4-chlorophenyl)-3-(dimethylamino)-2-methyl-1-phenylpropan-1-ol; oxalic acid
| Molecular Formula | C20H24ClNO5 |
|---|---|
| Molecular Weight | 393.13 g/mol |
| LogP | 2.9292 |
| Topological Polar Surface Area | 98.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 393.1343 |
| Heavy Atoms | 27 |
| Complexity | 380.0 |
Chemical Identifiers
| CAS Number | 4059-25-0 |
|---|---|
| SMILES | CC(CN(C)C)C(C1=CC=CC=C1)(C2=CC=C(C=C2)Cl)O.C(=O)(C(=O)O)O |
| InChIKey | VFWGOIAHNNKTRW-UHFFFAOYSA-N |
Product Overview
RefChem:1093945 (CAS 4059-25-0), with molecular formula C20H24ClNO5 and molecular weight 393.13 g/mol. IUPAC: 1-(4-chlorophenyl)-3-(dimethylamino)-2-methyl-1-phenylpropan-1-ol;oxalic acid.
Chemical Property Profile of RefChem:1093945
Property Insights of RefChem:1093945
The XLogP value of 2.9292 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1093945. The TPSA of 98.1 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1093945. Following Lipinski's Rule of Five, RefChem:1093945 has 3 hydrogen bond donor(s) and 6 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:1093945?
The CAS number of RefChem:1093945 is 4059-25-0.
What is the molecular formula of RefChem:1093945?
The molecular formula of RefChem:1093945 is C20H24ClNO5.
What is the molecular weight of RefChem:1093945?
The molecular weight of RefChem:1093945 is 393.13 g/mol.
Where can I buy RefChem:1093945?
You can request a quote for RefChem:1093945 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1093945?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1093945 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.