O-Methylphellinine
TL;DR: O-Methylphellinine (CAS 82482-18-6) is a chemical compound with molecular formula C20H25NO5 and molecular weight 359.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,17S,19R,20S,21R)-20,21-dimethoxy-5,7,18-trioxa-14-azahexacyclo[12.8.0.01,17.02,10.04,8.017,19]docosa-2,4(8),9-triene
Also Known As: O-Methylphellinine, Glycyl-glycyl-tyrosine N-methylamide, 5H-(1,3)Dioxolo(4,5-h)oxireno(3a,4)indolo(7a,1-a)(2)benzazepine,2,3,6,7,13,14,15,15a-octahydro-14,15-dimethoxy-, (14R-(1aS*,12bR*,14alpha,15abeta))-, (1aS,12bR,14R,15S,15aR)-14,15-Dimethoxy-2,3,6,7,13,14,15,15a-octahydro-5H,10H-[1,3]dioxolo[4,5-h]oxireno[3a,4]indolo[7a,1-a][2]benzazepine, 14,15-Dimethoxy-2,3,6,7,13,14,15,15a-octahydro-5H,10H-[1,3]dioxolo[4,5-h]oxireno[3a,4]indolo[7a,1-a][2]benzazepine
| Molecular Formula | C20H25NO5 |
|---|---|
| Molecular Weight | 359.17 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 52.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 359.17328 |
| Heavy Atoms | 26 |
| Complexity | 589.0 |
Chemical Identifiers
| CAS Number | 82482-18-6 |
|---|---|
| SMILES | CO[C@@H]1C[C@]23C4=CC5=C(C=C4CCCN2CC[C@@]36[C@@H]([C@H]1OC)O6)OCO5 |
| InChIKey | BSTQDNYPNFHPCJ-USYVTKNRSA-N |
Product Overview
O-Methylphellinine (CAS 82482-18-6), with molecular formula C20H25NO5 and molecular weight 359.17 g/mol. IUPAC: (1R,17S,19R,20S,21R)-20,21-dimethoxy-5,7,18-trioxa-14-azahexacyclo[12.8.0.01,17.02,10.04,8.017,19]docosa-2,4(8),9-triene.
Chemical Property Profile of O-Methylphellinine
Property Insights of O-Methylphellinine
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-Methylphellinine. With a topological polar surface area (TPSA) of 52.7 Ų, O-Methylphellinine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-Methylphellinine has 0 hydrogen bond donor(s) and 6 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-Methylphellinine?
The CAS number of O-Methylphellinine is 82482-18-6.
What is the molecular formula of O-Methylphellinine?
The molecular formula of O-Methylphellinine is C20H25NO5.
What is the molecular weight of O-Methylphellinine?
The molecular weight of O-Methylphellinine is 359.17 g/mol.
Where can I buy O-Methylphellinine?
You can request a quote for O-Methylphellinine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-Methylphellinine?
Yes, KEHONG BIO provides custom synthesis services for O-Methylphellinine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.