RefChem:1079015
TL;DR: RefChem:1079015 (CAS 24050-58-6) is a chemical compound with molecular formula C28H34ClNO5 and molecular weight 499.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-diphenylpropyl-[3-(3,4,5-trimethoxybenzoyl)oxypropyl]azanium chloride
Also Known As: Benzoic acid, 3,4,5-trimethoxy-, 3-((3,3-diphenylpropyl)amino)propyl ester, hydrochloride, 3-(3,3-Diphenylpropylamino)propyl-3',4',5'-trimethoxybenzoate hydrochloride, 3,4,5-Trimethoxybenzoic acid 3-((3,3-diphenylpropyl)amino)propyl ester hydrochloride, 3,3-diphenylpropyl-[3-(3,4,5-trimethoxybenzoyl)oxypropyl]azanium;chloride, 3,3-diphenylpropyl-[3-(3,4,5-trimethoxybenzoyl)oxypropyl]azanium chloride
| Molecular Formula | C28H34ClNO5 |
|---|---|
| Molecular Weight | 499.21 g/mol |
| LogP | 1.05 |
| Topological Polar Surface Area | 70.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 14 |
| Exact Mass | 499.21255 |
| Heavy Atoms | 35 |
| Complexity | 529.0 |
Chemical Identifiers
| CAS Number | 24050-58-6 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)OCCC[NH2+]CCC(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-] |
| InChIKey | YMKRGIWLUMQQED-UHFFFAOYSA-N |
Product Overview
RefChem:1079015 (CAS 24050-58-6), with molecular formula C28H34ClNO5 and molecular weight 499.21 g/mol. IUPAC: 3,3-diphenylpropyl-[3-(3,4,5-trimethoxybenzoyl)oxypropyl]azanium chloride.
Chemical Property Profile of RefChem:1079015
Property Insights of RefChem:1079015
The XLogP value of 1.05 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1079015. The TPSA of 70.6 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1079015. Following Lipinski's Rule of Five, RefChem:1079015 has 1 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:1079015?
The CAS number of RefChem:1079015 is 24050-58-6.
What is the molecular formula of RefChem:1079015?
The molecular formula of RefChem:1079015 is C28H34ClNO5.
What is the molecular weight of RefChem:1079015?
The molecular weight of RefChem:1079015 is 499.21 g/mol.
Where can I buy RefChem:1079015?
You can request a quote for RefChem:1079015 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1079015?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1079015 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.