3-(3-hydroxyphenyl)-5-((methylmercapto)methyl)-N-n-propylpiperidine
TL;DR: 3-(3-hydroxyphenyl)-5-((methylmercapto)methyl)-N-n-propylpiperidine (CAS 81161-69-5) is a chemical compound with molecular formula C16H25NOS and molecular weight 279.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3R,5R)-5-(methylsulfanylmethyl)-1-propylpiperidin-3-yl]phenol
Also Known As: Mmm-3-ppp, PCPP 6, 3-(3-Hydroxyphenyl)-5-((methylmercapto)methyl)-N-n-propylpiperidine, 2,6-dichloro-4-(2,3,4,6-tetrachlorophenoxy)phenol, 3-[(3R,5R)-5-(methylsulfanylmethyl)-1-propylpiperidin-3-yl]phenol
| Molecular Formula | C16H25NOS |
|---|---|
| Molecular Weight | 279.17 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 48.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 279.16568 |
| Heavy Atoms | 19 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 81161-69-5 |
|---|---|
| SMILES | CCCN1C[C@@H](C[C@@H](C1)C2=CC(=CC=C2)O)CSC |
| InChIKey | SPUJNUMTARGTRY-HIFRSBDPSA-N |
Product Overview
3-(3-hydroxyphenyl)-5-((methylmercapto)methyl)-N-n-propylpiperidine (CAS 81161-69-5), with molecular formula C16H25NOS and molecular weight 279.17 g/mol. IUPAC: 3-[(3R,5R)-5-(methylsulfanylmethyl)-1-propylpiperidin-3-yl]phenol.
Chemical Property Profile of 3-(3-hydroxyphenyl)-5-((methylmercapto)methyl)-N-n-propylpiperidine
Property Insights of 3-(3-hydroxyphenyl)-5-((methylmercapto)methyl)-N-n-propylpiperidine
The XLogP value of 3.6 indicates that 3-(3-hydroxyphenyl)-5-((methylmercapto)methyl)-N-n-propylpiperidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.8 Ų, 3-(3-hydroxyphenyl)-5-((methylmercapto)methyl)-N-n-propylpiperidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-hydroxyphenyl)-5-((methylmercapto)methyl)-N-n-propylpiperidine has 1 hydrogen bond donor(s) and 3 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 3-(3-hydroxyphenyl)-5-((methylmercapto)methyl)-N-n-propylpiperidine?
The CAS number of 3-(3-hydroxyphenyl)-5-((methylmercapto)methyl)-N-n-propylpiperidine is 81161-69-5.
What is the molecular formula of 3-(3-hydroxyphenyl)-5-((methylmercapto)methyl)-N-n-propylpiperidine?
The molecular formula of 3-(3-hydroxyphenyl)-5-((methylmercapto)methyl)-N-n-propylpiperidine is C16H25NOS.
What is the molecular weight of 3-(3-hydroxyphenyl)-5-((methylmercapto)methyl)-N-n-propylpiperidine?
The molecular weight of 3-(3-hydroxyphenyl)-5-((methylmercapto)methyl)-N-n-propylpiperidine is 279.17 g/mol.
Where can I buy 3-(3-hydroxyphenyl)-5-((methylmercapto)methyl)-N-n-propylpiperidine?
You can request a quote for 3-(3-hydroxyphenyl)-5-((methylmercapto)methyl)-N-n-propylpiperidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-hydroxyphenyl)-5-((methylmercapto)methyl)-N-n-propylpiperidine?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-hydroxyphenyl)-5-((methylmercapto)methyl)-N-n-propylpiperidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.