RefChem:327736
TL;DR: RefChem:327736 (CAS 69781-20-0) is a chemical compound with molecular formula C14H24N2O6S and molecular weight 348.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(4-aminobenzoyl)oxy-2-methylpropan-2-yl]-propan-2-ylazanium;hydrogen sulfate
Also Known As: C14H22N2O2.1/2H2O4S, Benzoic acid, m-amino-, (2-(isopropylamino)-2-methyl)propyl ester, hydrogen sulfate, C14-H22-N2-O2.1/2H2-O4-S, m-Aminobenzoic acid (2-(isopropylamino)-2-methyl)propyl ester hydrogen sulfate, [1-(4-aminobenzoyl)oxy-2-methylpropan-2-yl]-propan-2-ylazanium; hydrogen sulfate
| Molecular Formula | C14H24N2O6S |
|---|---|
| Molecular Weight | 348.14 g/mol |
| LogP | 0.18 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 348.1355 |
| Heavy Atoms | 23 |
| Complexity | 345.0 |
Chemical Identifiers
| CAS Number | 69781-20-0 |
|---|---|
| SMILES | CC(C)[NH2+]C(C)(C)COC(=O)C1=CC=C(C=C1)N.OS(=O)(=O)[O-] |
| InChIKey | HKEVXZMONMCCKR-UHFFFAOYSA-N |
Product Overview
RefChem:327736 (CAS 69781-20-0), with molecular formula C14H24N2O6S and molecular weight 348.14 g/mol. IUPAC: [1-(4-aminobenzoyl)oxy-2-methylpropan-2-yl]-propan-2-ylazanium;hydrogen sulfate.
Chemical Property Profile of RefChem:327736
Property Insights of RefChem:327736
The XLogP value of 0.18 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:327736. The TPSA of 155.0 Ų indicates high polarity, suggesting RefChem:327736 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:327736 has 3 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:327736?
The CAS number of RefChem:327736 is 69781-20-0.
What is the molecular formula of RefChem:327736?
The molecular formula of RefChem:327736 is C14H24N2O6S.
What is the molecular weight of RefChem:327736?
The molecular weight of RefChem:327736 is 348.14 g/mol.
Where can I buy RefChem:327736?
You can request a quote for RefChem:327736 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:327736?
Yes, KEHONG BIO provides custom synthesis services for RefChem:327736 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.