3-Pentadecyl-6-(piperidin-1-ylmethyl)benzene-1,2-diol hydrochloride
TL;DR: 3-Pentadecyl-6-(piperidin-1-ylmethyl)benzene-1,2-diol hydrochloride (CAS 76981-71-0) is a chemical compound with molecular formula C27H48ClNO2 and molecular weight 453.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-pentadecyl-6-(piperidin-1-ylmethyl)benzene-1,2-diol;hydrochloride
Also Known As: 3-Pentadecyl-6-(piperidin-1-ylmethyl)benzene-1,2-diol hydrochloride, 3-pentadecyl-6-(piperidin-1-ylmethyl)benzene-1,2-diol hydrochloride(1:1), 6-(Piperidinomethyl)-3-n-pentadecylcatechol hydrochloride, 3-pentadecyl-6-(1-piperidylmethyl)benzene-1,2-diol Hydrochloride, 3-Pentadecyl-6-[(piperidin-1-yl)methyl]benzene-1,2-diol--hydrogen chloride (1/1)
| Molecular Formula | C27H48ClNO2 |
|---|---|
| Molecular Weight | 453.34 g/mol |
| LogP | 8.1392 |
| Topological Polar Surface Area | 43.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 16 |
| Exact Mass | 453.33737 |
| Heavy Atoms | 31 |
| Complexity | 396.0 |
Chemical Identifiers
| CAS Number | 76981-71-0 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC1=C(C(=C(C=C1)CN2CCCCC2)O)O.Cl |
| InChIKey | YJTBPJBAPPNGNR-UHFFFAOYSA-N |
Product Overview
3-Pentadecyl-6-(piperidin-1-ylmethyl)benzene-1,2-diol hydrochloride (CAS 76981-71-0), with molecular formula C27H48ClNO2 and molecular weight 453.34 g/mol. IUPAC: 3-pentadecyl-6-(piperidin-1-ylmethyl)benzene-1,2-diol;hydrochloride.
Chemical Property Profile of 3-Pentadecyl-6-(piperidin-1-ylmethyl)benzene-1,2-diol hydrochloride
Property Insights of 3-Pentadecyl-6-(piperidin-1-ylmethyl)benzene-1,2-diol hydrochloride
The XLogP value of 8.1392 indicates that 3-Pentadecyl-6-(piperidin-1-ylmethyl)benzene-1,2-diol hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.7 Ų, 3-Pentadecyl-6-(piperidin-1-ylmethyl)benzene-1,2-diol hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Pentadecyl-6-(piperidin-1-ylmethyl)benzene-1,2-diol hydrochloride has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Pentadecyl-6-(piperidin-1-ylmethyl)benzene-1,2-diol hydrochloride?
The CAS number of 3-Pentadecyl-6-(piperidin-1-ylmethyl)benzene-1,2-diol hydrochloride is 76981-71-0.
What is the molecular formula of 3-Pentadecyl-6-(piperidin-1-ylmethyl)benzene-1,2-diol hydrochloride?
The molecular formula of 3-Pentadecyl-6-(piperidin-1-ylmethyl)benzene-1,2-diol hydrochloride is C27H48ClNO2.
What is the molecular weight of 3-Pentadecyl-6-(piperidin-1-ylmethyl)benzene-1,2-diol hydrochloride?
The molecular weight of 3-Pentadecyl-6-(piperidin-1-ylmethyl)benzene-1,2-diol hydrochloride is 453.34 g/mol.
Where can I buy 3-Pentadecyl-6-(piperidin-1-ylmethyl)benzene-1,2-diol hydrochloride?
You can request a quote for 3-Pentadecyl-6-(piperidin-1-ylmethyl)benzene-1,2-diol hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pentadecyl-6-(piperidin-1-ylmethyl)benzene-1,2-diol hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 3-Pentadecyl-6-(piperidin-1-ylmethyl)benzene-1,2-diol hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.