2-Hydroxy-4-(3-hydroxy-4-methoxyphenyl)-trans-quinolizidine
TL;DR: 2-Hydroxy-4-(3-hydroxy-4-methoxyphenyl)-trans-quinolizidine (CAS 52656-92-5) is a chemical compound with molecular formula C16H23NO3 and molecular weight 277.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,4S)-4-(3-hydroxy-4-methoxyphenyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-ol
Also Known As: Sid 768746, KST-1A6089, (2s,4s)-4-(3-hydroxy-4-methoxyphenyl)octahydro-2h-quinolizin-2-ol, 2-Hydroxy-4-(3-hydroxy-4-methoxyphenyl)-trans-quinolizidine, 2H-Quinolizin-2-ol, octahydro-4-(3-hydroxy-4-methoxyphenyl)-, (2alpha,4beta,9aalpha)-
| Molecular Formula | C16H23NO3 |
|---|---|
| Molecular Weight | 277.17 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 277.1678 |
| Heavy Atoms | 20 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 52656-92-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)[C@@H]2C[C@H](CC3N2CCCC3)O)O |
| InChIKey | CRYPKWICPCFQOE-TTZKSVMKSA-N |
Product Overview
2-Hydroxy-4-(3-hydroxy-4-methoxyphenyl)-trans-quinolizidine (CAS 52656-92-5), with molecular formula C16H23NO3 and molecular weight 277.17 g/mol. IUPAC: (2S,4S)-4-(3-hydroxy-4-methoxyphenyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-ol.
Chemical Property Profile of 2-Hydroxy-4-(3-hydroxy-4-methoxyphenyl)-trans-quinolizidine
Property Insights of 2-Hydroxy-4-(3-hydroxy-4-methoxyphenyl)-trans-quinolizidine
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hydroxy-4-(3-hydroxy-4-methoxyphenyl)-trans-quinolizidine. With a topological polar surface area (TPSA) of 52.9 Ų, 2-Hydroxy-4-(3-hydroxy-4-methoxyphenyl)-trans-quinolizidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Hydroxy-4-(3-hydroxy-4-methoxyphenyl)-trans-quinolizidine 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 2-Hydroxy-4-(3-hydroxy-4-methoxyphenyl)-trans-quinolizidine?
The CAS number of 2-Hydroxy-4-(3-hydroxy-4-methoxyphenyl)-trans-quinolizidine is 52656-92-5.
What is the molecular formula of 2-Hydroxy-4-(3-hydroxy-4-methoxyphenyl)-trans-quinolizidine?
The molecular formula of 2-Hydroxy-4-(3-hydroxy-4-methoxyphenyl)-trans-quinolizidine is C16H23NO3.
What is the molecular weight of 2-Hydroxy-4-(3-hydroxy-4-methoxyphenyl)-trans-quinolizidine?
The molecular weight of 2-Hydroxy-4-(3-hydroxy-4-methoxyphenyl)-trans-quinolizidine is 277.17 g/mol.
Where can I buy 2-Hydroxy-4-(3-hydroxy-4-methoxyphenyl)-trans-quinolizidine?
You can request a quote for 2-Hydroxy-4-(3-hydroxy-4-methoxyphenyl)-trans-quinolizidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hydroxy-4-(3-hydroxy-4-methoxyphenyl)-trans-quinolizidine?
Yes, KEHONG BIO provides custom synthesis services for 2-Hydroxy-4-(3-hydroxy-4-methoxyphenyl)-trans-quinolizidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.