Spiro(2-cyclohexene-1,7'(1'H)-cyclopent(i,j)isoquinoline)-4,6'-diol, 2',3',8',8'a-tetrahydro-5'-methoxy-1'-methyl-, (7'-alpha(S*),8'a-alpha)-(+-)-
TL;DR: Spiro(2-cyclohexene-1,7'(1'H)-cyclopent(i,j)isoquinoline)-4,6'-diol, 2',3',8',8'a-tetrahydro-5'-methoxy-1'-methyl-, (7'-alpha(S*),8'a-alpha)-(+-)- (CAS 58206-99-8) is a chemical compound with molecular formula C18H23NO3 and molecular weight 301.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1'S,2R,4S)-10-methoxy-5-methylspiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,4'-cyclohex-2-ene]-1',11-diol
Also Known As: Spiro(2-cyclohexene-1,7'(1'H)-cyclopent(i,j)isoquinoline)-4,6'-diol, 2',3',8',8'a-tetrahydro-5'-methoxy-1'-methyl-, (7'-alpha(S*),8'a-alpha)-(+-)-, (1R,4S,8'aS)-5'-Methoxy-1'-methyl-2',3',8',8'a-tetrahydro-1'H-spiro[cyclohex-2-ene-1,7'-cyclopenta[ij]isoquinoline]-4,6'-diol, 5'-Methoxy-1'-methyl-2',3',8',8'a-tetrahydro-1'H-spiro[cyclohex-2-ene-1,7'-cyclopenta[ij]isoquinoline]-4,6'-diol, RefChem:380831
| Molecular Formula | C18H23NO3 |
|---|---|
| Molecular Weight | 301.17 g/mol |
| LogP | 2.2822 |
| Topological Polar Surface Area | 52.93 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 301.1678 |
| Heavy Atoms | 22 |
| Complexity | 654.2226 |
Chemical Identifiers
| CAS Number | 58206-99-8 |
|---|---|
| SMILES | CN1CCC2=CC(=C(C3=C2[C@@H]1C[C@@]34CC[C@@H](C=C4)O)O)OC |
Product Overview
Spiro(2-cyclohexene-1,7'(1'H)-cyclopent(i,j)isoquinoline)-4,6'-diol, 2',3',8',8'a-tetrahydro-5'-methoxy-1'-methyl-, (7'-alpha(S*),8'a-alpha)-(+-)- (CAS 58206-99-8), with molecular formula C18H23NO3 and molecular weight 301.17 g/mol. IUPAC: (1'S,2R,4S)-10-methoxy-5-methylspiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,4'-cyclohex-2-ene]-1',11-diol.
Chemical Property Profile of Spiro(2-cyclohexene-1,7'(1'H)-cyclopent(i,j)isoquinoline)-4,6'-diol, 2',3',8',8'a-tetrahydro-5'-methoxy-1'-methyl-, (7'-alpha(S*),8'a-alpha)-(+-)-
Property Insights of Spiro(2-cyclohexene-1,7'(1'H)-cyclopent(i,j)isoquinoline)-4,6'-diol, 2',3',8',8'a-tetrahydro-5'-methoxy-1'-methyl-, (7'-alpha(S*),8'a-alpha)-(+-)-
The XLogP value of 2.2822 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Spiro(2-cyclohexene-1,7'(1'H)-cyclopent(i,j)isoquinoline)-4,6'-diol, 2',3',8',8'a-tetrahydro-5'-methoxy-1'-methyl-, (7'-alpha(S*),8'a-alpha)-(+-)-. With a topological polar surface area (TPSA) of 52.93 Ų, Spiro(2-cyclohexene-1,7'(1'H)-cyclopent(i,j)isoquinoline)-4,6'-diol, 2',3',8',8'a-tetrahydro-5'-methoxy-1'-methyl-, (7'-alpha(S*),8'a-alpha)-(+-)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Spiro(2-cyclohexene-1,7'(1'H)-cyclopent(i,j)isoquinoline)-4,6'-diol, 2',3',8',8'a-tetrahydro-5'-methoxy-1'-methyl-, (7'-alpha(S*),8'a-alpha)-(+-)- 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 Spiro(2-cyclohexene-1,7'(1'H)-cyclopent(i,j)isoquinoline)-4,6'-diol, 2',3',8',8'a-tetrahydro-5'-methoxy-1'-methyl-, (7'-alpha(S*),8'a-alpha)-(+-)-?
The CAS number of Spiro(2-cyclohexene-1,7'(1'H)-cyclopent(i,j)isoquinoline)-4,6'-diol, 2',3',8',8'a-tetrahydro-5'-methoxy-1'-methyl-, (7'-alpha(S*),8'a-alpha)-(+-)- is 58206-99-8.
What is the molecular formula of Spiro(2-cyclohexene-1,7'(1'H)-cyclopent(i,j)isoquinoline)-4,6'-diol, 2',3',8',8'a-tetrahydro-5'-methoxy-1'-methyl-, (7'-alpha(S*),8'a-alpha)-(+-)-?
The molecular formula of Spiro(2-cyclohexene-1,7'(1'H)-cyclopent(i,j)isoquinoline)-4,6'-diol, 2',3',8',8'a-tetrahydro-5'-methoxy-1'-methyl-, (7'-alpha(S*),8'a-alpha)-(+-)- is C18H23NO3.
What is the molecular weight of Spiro(2-cyclohexene-1,7'(1'H)-cyclopent(i,j)isoquinoline)-4,6'-diol, 2',3',8',8'a-tetrahydro-5'-methoxy-1'-methyl-, (7'-alpha(S*),8'a-alpha)-(+-)-?
The molecular weight of Spiro(2-cyclohexene-1,7'(1'H)-cyclopent(i,j)isoquinoline)-4,6'-diol, 2',3',8',8'a-tetrahydro-5'-methoxy-1'-methyl-, (7'-alpha(S*),8'a-alpha)-(+-)- is 301.17 g/mol.
Where can I buy Spiro(2-cyclohexene-1,7'(1'H)-cyclopent(i,j)isoquinoline)-4,6'-diol, 2',3',8',8'a-tetrahydro-5'-methoxy-1'-methyl-, (7'-alpha(S*),8'a-alpha)-(+-)-?
You can request a quote for Spiro(2-cyclohexene-1,7'(1'H)-cyclopent(i,j)isoquinoline)-4,6'-diol, 2',3',8',8'a-tetrahydro-5'-methoxy-1'-methyl-, (7'-alpha(S*),8'a-alpha)-(+-)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Spiro(2-cyclohexene-1,7'(1'H)-cyclopent(i,j)isoquinoline)-4,6'-diol, 2',3',8',8'a-tetrahydro-5'-methoxy-1'-methyl-, (7'-alpha(S*),8'a-alpha)-(+-)-?
Yes, KEHONG BIO provides custom synthesis services for Spiro(2-cyclohexene-1,7'(1'H)-cyclopent(i,j)isoquinoline)-4,6'-diol, 2',3',8',8'a-tetrahydro-5'-methoxy-1'-methyl-, (7'-alpha(S*),8'a-alpha)-(+-)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.