RefChem:1078740
TL;DR: RefChem:1078740 (CAS 4753-13-3) is a chemical compound with molecular formula C29H35NO7 and molecular weight 509.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-methyl-1,1-diphenylpropan-1-ol;oxalic acid
Also Known As: 1-Propanol, 3-((3,4-dimethoxyphenethyl)methylamino)-1,1-diphenyl-2-methyl-, oxalate, hydrate, alpha-(2-((3,4-Dimethoxyphenethyl)methylamino)-1-methylethyl)benzhydrol oxalate hydrate, Benzhydrol, alpha-(2-((3,4-dimethoxyphenethyl)methylamino)-1-methylethyl)-, oxalate, hydrate, 3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-methyl-1,1-diphenylpropan-1-ol; oxalic acid, Benzhydrol, alpha-(2-((3,4-dimethoxyphenethyl)methylamino)-1-methylethyl)-, oxalate (1:1)
| Molecular Formula | C29H35NO7 |
|---|---|
| Molecular Weight | 509.24 g/mol |
| LogP | 3.9059 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 509.24136 |
| Heavy Atoms | 37 |
| Complexity | 554.0 |
Chemical Identifiers
| CAS Number | 4753-13-3 |
|---|---|
| SMILES | CC(CN(C)CCC1=CC(=C(C=C1)OC)OC)C(C2=CC=CC=C2)(C3=CC=CC=C3)O.C(=O)(C(=O)O)O |
| InChIKey | GQHDAJQJTMOJCK-UHFFFAOYSA-N |
Product Overview
RefChem:1078740 (CAS 4753-13-3), with molecular formula C29H35NO7 and molecular weight 509.24 g/mol. IUPAC: 3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-methyl-1,1-diphenylpropan-1-ol;oxalic acid.
Chemical Property Profile of RefChem:1078740
Property Insights of RefChem:1078740
The XLogP value of 3.9059 indicates that RefChem:1078740 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1078740. Following Lipinski's Rule of Five, RefChem:1078740 has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1078740?
The CAS number of RefChem:1078740 is 4753-13-3.
What is the molecular formula of RefChem:1078740?
The molecular formula of RefChem:1078740 is C29H35NO7.
What is the molecular weight of RefChem:1078740?
The molecular weight of RefChem:1078740 is 509.24 g/mol.
Where can I buy RefChem:1078740?
You can request a quote for RefChem:1078740 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1078740?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1078740 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.