C14H21NO3.ClH.3/2H2O
TL;DR: C14H21NO3.ClH.3/2H2O (CAS 65860-38-0) is a chemical compound with molecular formula C14H22ClNO3 and molecular weight 287.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1,6-dihydroxy-5-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-propan-2-ylazanium chloride
Also Known As: C14H21NO3.ClH.3/2H2O, C14-H21-N-O3.Cl-H.3/2H2-O, trans-6-Hydroxy-5-hydroxymethyl-2-isopropylamino-1,2,3,4-tetrahydro-1-naphthalenol HCl 3/2H2O, 1,6-NAPHTHALENEDIOL, 1,2,3,4-TETRAHYDRO-5-(HYDROXYMETHYL)-2-(ISOPROPYLAMINO)-, H, [1,6-dihydroxy-5-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-propan-2-ylazanium chloride
| Molecular Formula | C14H22ClNO3 |
|---|---|
| Molecular Weight | 287.13 g/mol |
| LogP | -2.79 |
| Topological Polar Surface Area | 77.3 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 287.1288 |
| Heavy Atoms | 19 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 65860-38-0 |
|---|---|
| SMILES | CC(C)[NH2+]C1CCC2=C(C1O)C=CC(=C2CO)O.[Cl-] |
| InChIKey | GUXIVSFTPDBQRU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
C14H21NO3.ClH.3/2H2O (CAS 65860-38-0), with molecular formula C14H22ClNO3 and molecular weight 287.13 g/mol. IUPAC: [1,6-dihydroxy-5-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-propan-2-ylazanium chloride.
Chemical Property Profile of C14H21NO3.ClH.3/2H2O
Property Insights of C14H21NO3.ClH.3/2H2O
The XLogP value of -2.79 indicates that C14H21NO3.ClH.3/2H2O is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 77.3 Ų falls within the moderate polarity range, balancing permeability and solubility for C14H21NO3.ClH.3/2H2O. Following Lipinski's Rule of Five, C14H21NO3.ClH.3/2H2O has 4 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 C14H21NO3.ClH.3/2H2O?
The CAS number of C14H21NO3.ClH.3/2H2O is 65860-38-0.
What is the molecular formula of C14H21NO3.ClH.3/2H2O?
The molecular formula of C14H21NO3.ClH.3/2H2O is C14H22ClNO3.
What is the molecular weight of C14H21NO3.ClH.3/2H2O?
The molecular weight of C14H21NO3.ClH.3/2H2O is 287.13 g/mol.
Where can I buy C14H21NO3.ClH.3/2H2O?
You can request a quote for C14H21NO3.ClH.3/2H2O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C14H21NO3.ClH.3/2H2O?
Yes, KEHONG BIO provides custom synthesis services for C14H21NO3.ClH.3/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.