4'-O-Methylstephavanine
TL;DR: 4'-O-Methylstephavanine (CAS 152013-83-7) is a chemical compound with molecular formula C27H29NO9 and molecular weight 511.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(11R,15S,16S)-15-hydroxy-14-methoxy-5,7,21-trioxa-20-azahexacyclo[11.4.3.111,14.01,13.02,10.04,8]henicosa-2,4(8),9-trien-16-yl] 3,4-dimethoxybenzoate
Also Known As: 4'-O-Methylstephavanine, 4'-O-methyl-stephavanine, 4/'-O-Methylstephavanine, [(11R,15S,16S)-15-hydroxy-14-methoxy-5,7,21-trioxa-20-azahexacyclo[11.4.3.111,14.01,13.02,10.04,8]henicosa-2,4(8),9-trien-16-yl] 3,4-dimethoxybenzoate, (2S,3S,6R)-3-Hydroxy-4-methoxy-1,2,3,4,5,6-hexahydro-9H-4a,11b-(epiminoethano)-4,6-epoxyphenanthro[2,3-d][1,3]dioxol-2-yl 3,4-dimethoxybenzoate
| Molecular Formula | C27H29NO9 |
|---|---|
| Molecular Weight | 511.18 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 511.18423 |
| Heavy Atoms | 37 |
| Complexity | 920.0 |
Chemical Identifiers
| CAS Number | 152013-83-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)O[C@H]2CC34CCNC35C[C@H](C6=CC7=C(C=C46)OCO7)OC5([C@H]2O)OC)OC |
| InChIKey | FQTGWQFUPQBOJP-UHPCZMERSA-N |
Product Overview
4'-O-Methylstephavanine (CAS 152013-83-7), with molecular formula C27H29NO9 and molecular weight 511.18 g/mol. IUPAC: [(11R,15S,16S)-15-hydroxy-14-methoxy-5,7,21-trioxa-20-azahexacyclo[11.4.3.111,14.01,13.02,10.04,8]henicosa-2,4(8),9-trien-16-yl] 3,4-dimethoxybenzoate.
Chemical Property Profile of 4'-O-Methylstephavanine
Property Insights of 4'-O-Methylstephavanine
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4'-O-Methylstephavanine. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4'-O-Methylstephavanine. Following Lipinski's Rule of Five, 4'-O-Methylstephavanine has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4'-O-Methylstephavanine?
The CAS number of 4'-O-Methylstephavanine is 152013-83-7.
What is the molecular formula of 4'-O-Methylstephavanine?
The molecular formula of 4'-O-Methylstephavanine is C27H29NO9.
What is the molecular weight of 4'-O-Methylstephavanine?
The molecular weight of 4'-O-Methylstephavanine is 511.18 g/mol.
Where can I buy 4'-O-Methylstephavanine?
You can request a quote for 4'-O-Methylstephavanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-O-Methylstephavanine?
Yes, KEHONG BIO provides custom synthesis services for 4'-O-Methylstephavanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.