RefChem:1079269
TL;DR: RefChem:1079269 (CAS 69781-51-7) is a chemical compound with molecular formula C19H33ClN2O2 and molecular weight 356.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-aminobenzoyl)oxy-2-methylpropyl]-octan-2-ylazanium chloride
Also Known As: Benzoic acid, p-amino-, 1,1-dimethyl-2-((1-methylheptyl)amino)ethyl ester, hydrochloride, [2-(4-aminobenzoyl)oxy-2-methylpropyl]-octan-2-ylazanium chloride, p-Aminobenzoic acid 1,1-dimethyl-2-((1-methylheptyl)amino)ethyl ester hydrochloride, RefChem:1079269
| Molecular Formula | C19H33ClN2O2 |
|---|---|
| Molecular Weight | 356.22 g/mol |
| LogP | 0.13 |
| Topological Polar Surface Area | 68.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 356.22305 |
| Heavy Atoms | 24 |
| Complexity | 336.0 |
Chemical Identifiers
| CAS Number | 69781-51-7 |
|---|---|
| SMILES | CCCCCCC(C)[NH2+]CC(C)(C)OC(=O)C1=CC=C(C=C1)N.[Cl-] |
| InChIKey | ZESGCIFWLRGJOS-UHFFFAOYSA-N |
Product Overview
RefChem:1079269 (CAS 69781-51-7), with molecular formula C19H33ClN2O2 and molecular weight 356.22 g/mol. IUPAC: [2-(4-aminobenzoyl)oxy-2-methylpropyl]-octan-2-ylazanium chloride.
Chemical Property Profile of RefChem:1079269
Property Insights of RefChem:1079269
The XLogP value of 0.13 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1079269. The TPSA of 68.9 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1079269. Following Lipinski's Rule of Five, RefChem:1079269 has 2 hydrogen bond donor(s) and 4 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:1079269?
The CAS number of RefChem:1079269 is 69781-51-7.
What is the molecular formula of RefChem:1079269?
The molecular formula of RefChem:1079269 is C19H33ClN2O2.
What is the molecular weight of RefChem:1079269?
The molecular weight of RefChem:1079269 is 356.22 g/mol.
Where can I buy RefChem:1079269?
You can request a quote for RefChem:1079269 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1079269?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1079269 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.