RefChem:1054631
TL;DR: RefChem:1054631 (CAS 69781-44-8) is a chemical compound with molecular formula C16H25ClN2O2 and molecular weight 312.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-aminobenzoyl)oxy-2-methylpropyl]-cyclopentylazanium chloride
Also Known As: Benzoic acid, p-amino-, 2-(cyclopentylamino)-1,1-dimethylethyl ester, hydrochloride, p-Aminobenzoic acid 2-(cyclopentylamino)-1,1-dimethylethyl ester hydrochloride, [2-(4-aminobenzoyl)oxy-2-methylpropyl]-cyclopentylazanium chloride, 1-(Cyclopentylamino)-2-methylpropan-2-yl 4-aminobenzoate--hydrogen chloride (1/1), RefChem:1054631
| Molecular Formula | C16H25ClN2O2 |
|---|---|
| Molecular Weight | 312.16 g/mol |
| LogP | -1.29 |
| Topological Polar Surface Area | 68.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 312.16046 |
| Heavy Atoms | 21 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 69781-44-8 |
|---|---|
| SMILES | CC(C)(C[NH2+]C1CCCC1)OC(=O)C2=CC=C(C=C2)N.[Cl-] |
| InChIKey | GGNBJHAKIVDXSB-UHFFFAOYSA-N |
Product Overview
RefChem:1054631 (CAS 69781-44-8), with molecular formula C16H25ClN2O2 and molecular weight 312.16 g/mol. IUPAC: [2-(4-aminobenzoyl)oxy-2-methylpropyl]-cyclopentylazanium chloride.
Chemical Property Profile of RefChem:1054631
Property Insights of RefChem:1054631
The XLogP value of -1.29 indicates that RefChem:1054631 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 68.9 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1054631. Following Lipinski's Rule of Five, RefChem:1054631 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:1054631?
The CAS number of RefChem:1054631 is 69781-44-8.
What is the molecular formula of RefChem:1054631?
The molecular formula of RefChem:1054631 is C16H25ClN2O2.
What is the molecular weight of RefChem:1054631?
The molecular weight of RefChem:1054631 is 312.16 g/mol.
Where can I buy RefChem:1054631?
You can request a quote for RefChem:1054631 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1054631?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1054631 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.