O-Methylfumarophycine
TL;DR: O-Methylfumarophycine (CAS 36017-45-5) is a chemical compound with molecular formula C23H25NO6 and molecular weight 411.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6,7-dimethoxy-2-methylspiro[3,4-dihydroisoquinoline-1,7'-6,8-dihydrocyclopenta[g][1,3]benzodioxole]-8'-yl) acetate
Also Known As: O-Methylfumarophycine, Spiro(7H-indeno(4,5-d)-1,3-dioxole-7,1'(2'H)-isoquinolin)-8-ol, 3',4',6,8-tetrahydro-6',7'-dimethoxy-2'-methyl-, acetate (ester), (1'R,8S)-, (6,7-dimethoxy-2-methylspiro[3,4-dihydroisoquinoline-1,7'-6,8-dihydrocyclopenta[g][1,3]benzodioxole]-8'-yl) acetate, 6',7'-Dimethoxy-2'-methyl-3',4',6,8-tetrahydro-2H,2'H-spiro[indeno[4,5-d][1,3]dioxole-7,1'-isoquinolin]-8-yl acetate, RefChem:366494
| Molecular Formula | C23H25NO6 |
|---|---|
| Molecular Weight | 411.17 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 66.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 411.16818 |
| Heavy Atoms | 30 |
| Complexity | 660.0 |
Chemical Identifiers
| CAS Number | 36017-45-5 |
|---|---|
| SMILES | CC(=O)OC1C2=C(CC13C4=CC(=C(C=C4CCN3C)OC)OC)C=CC5=C2OCO5 |
| InChIKey | HTLXWDJBTOCUFB-UHFFFAOYSA-N |
Product Overview
O-Methylfumarophycine (CAS 36017-45-5), with molecular formula C23H25NO6 and molecular weight 411.17 g/mol. IUPAC: (6,7-dimethoxy-2-methylspiro[3,4-dihydroisoquinoline-1,7'-6,8-dihydrocyclopenta[g][1,3]benzodioxole]-8'-yl) acetate.
Chemical Property Profile of O-Methylfumarophycine
Property Insights of O-Methylfumarophycine
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-Methylfumarophycine. The TPSA of 66.5 Ų falls within the moderate polarity range, balancing permeability and solubility for O-Methylfumarophycine. Following Lipinski's Rule of Five, O-Methylfumarophycine has 0 hydrogen bond donor(s) and 7 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 O-Methylfumarophycine?
The CAS number of O-Methylfumarophycine is 36017-45-5.
What is the molecular formula of O-Methylfumarophycine?
The molecular formula of O-Methylfumarophycine is C23H25NO6.
What is the molecular weight of O-Methylfumarophycine?
The molecular weight of O-Methylfumarophycine is 411.17 g/mol.
Where can I buy O-Methylfumarophycine?
You can request a quote for O-Methylfumarophycine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-Methylfumarophycine?
Yes, KEHONG BIO provides custom synthesis services for O-Methylfumarophycine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.