RefChem:184803
TL;DR: RefChem:184803 (CAS 5456-13-3) is a chemical compound with molecular formula C15H21NO2 and molecular weight 247.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1'R,4S)-6-methoxy-2-methylspiro[1,3-dihydroisoquinoline-4,3'-cyclopentane]-1'-ol
Also Known As: Sid 768668, KST-1A5861, Spiro-(3-hydroxycyclopentane-1,4'-2',3'-dihydro-6'-methoxy-2'-methyl-1'H-isoquinoline), (1s,3r)-6'-methoxy-2'-methyl-2',3'-dihydro-1'h-spiro[cyclopentane-1,4'-isoquinolin]-3-ol, (1'R,4S)-6-methoxy-2-methylspiro[1,3-dihydroisoquinoline-4,3'-cyclopentane]-1'-ol
| Molecular Formula | C15H21NO2 |
|---|---|
| Molecular Weight | 247.16 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 247.15723 |
| Heavy Atoms | 18 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 5456-13-3 |
|---|---|
| SMILES | CN1CC2=C(C=C(C=C2)OC)[C@]3(C1)CC[C@H](C3)O |
| InChIKey | WQPABJNOOXVNSE-IUODEOHRSA-N |
Product Overview
RefChem:184803 (CAS 5456-13-3), with molecular formula C15H21NO2 and molecular weight 247.16 g/mol. IUPAC: (1'R,4S)-6-methoxy-2-methylspiro[1,3-dihydroisoquinoline-4,3'-cyclopentane]-1'-ol.
Chemical Property Profile of RefChem:184803
Property Insights of RefChem:184803
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:184803. With a topological polar surface area (TPSA) of 32.7 Ų, RefChem:184803 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:184803 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 RefChem:184803?
The CAS number of RefChem:184803 is 5456-13-3.
What is the molecular formula of RefChem:184803?
The molecular formula of RefChem:184803 is C15H21NO2.
What is the molecular weight of RefChem:184803?
The molecular weight of RefChem:184803 is 247.16 g/mol.
Where can I buy RefChem:184803?
You can request a quote for RefChem:184803 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:184803?
Yes, KEHONG BIO provides custom synthesis services for RefChem:184803 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.