RefChem:1078745
TL;DR: RefChem:1078745 (CAS 4071-29-8) is a chemical compound with molecular formula C23H29NO6 and molecular weight 415.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(dimethylamino)-2-methyl-1,1-diphenylpropyl] propanoate;oxalic acid
Also Known As: 3-Dimethylamino-1,1-diphenyl-2-methyl-1-propionoxypropane oxalate hydrate, 2,2,4-trimethyl-3,4-dihydro-1H-quinoline,hydrochloride, 1-Propanol, 3-dimethylamino-1,1-diphenyl-2-methyl-, propionate, oxalate, hydrate, Benzhydrol, alpha-(2-(dimethylamino)-1-methylethyl)-, propionate, oxalate, hydrate (2:1:1), alpha-(2-(Dimethylamino)-1-methylethyl)benzhydrol propionate oxalate hydrate
| Molecular Formula | C23H29NO6 |
|---|---|
| Molecular Weight | 415.20 g/mol |
| LogP | 3.2367 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 415.1995 |
| Heavy Atoms | 30 |
| Complexity | 435.0 |
Chemical Identifiers
| CAS Number | 4071-29-8 |
|---|---|
| SMILES | CCC(=O)OC(C1=CC=CC=C1)(C2=CC=CC=C2)C(C)CN(C)C.C(=O)(C(=O)O)O |
| InChIKey | BKRSTEXBBFUTHT-UHFFFAOYSA-N |
Product Overview
RefChem:1078745 (CAS 4071-29-8), with molecular formula C23H29NO6 and molecular weight 415.20 g/mol. IUPAC: [3-(dimethylamino)-2-methyl-1,1-diphenylpropyl] propanoate;oxalic acid.
Chemical Property Profile of RefChem:1078745
Property Insights of RefChem:1078745
The XLogP value of 3.2367 indicates that RefChem:1078745 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1078745. Following Lipinski's Rule of Five, RefChem:1078745 has 2 hydrogen bond donor(s) and 7 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:1078745?
The CAS number of RefChem:1078745 is 4071-29-8.
What is the molecular formula of RefChem:1078745?
The molecular formula of RefChem:1078745 is C23H29NO6.
What is the molecular weight of RefChem:1078745?
The molecular weight of RefChem:1078745 is 415.20 g/mol.
Where can I buy RefChem:1078745?
You can request a quote for RefChem:1078745 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1078745?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1078745 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.