(16R)-17-Hydroxy-16-(methoxycarbonyl)-4alpha-methylsarpagan-4-ium
TL;DR: (16R)-17-Hydroxy-16-(methoxycarbonyl)-4alpha-methylsarpagan-4-ium (CAS 6801-39-4) is a chemical compound with molecular formula C22H27N2O3+ and molecular weight 367.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 15-ethylidene-13-(hydroxymethyl)-17-methyl-3-aza-17-azoniapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraene-13-carboxylate
Also Known As: (16R)-17-Hydroxy-16-(methoxycarbonyl)-4alpha-methylsarpagan-4-ium
| Molecular Formula | C22H27N2O3+ |
|---|---|
| Molecular Weight | 367.20 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 62.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 367.20218 |
| Heavy Atoms | 27 |
| Complexity | 678.0 |
Chemical Identifiers
| CAS Number | 6801-39-4 |
|---|---|
| SMILES | CC=C1C[N+]2(C3CC1C(C2CC4=C3NC5=CC=CC=C45)(CO)C(=O)OC)C |
| InChIKey | HOIYLJHQHXMJGO-UHFFFAOYSA-N |
Product Overview
(16R)-17-Hydroxy-16-(methoxycarbonyl)-4alpha-methylsarpagan-4-ium (CAS 6801-39-4), with molecular formula C22H27N2O3+ and molecular weight 367.20 g/mol. IUPAC: methyl 15-ethylidene-13-(hydroxymethyl)-17-methyl-3-aza-17-azoniapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraene-13-carboxylate.
Chemical Property Profile of (16R)-17-Hydroxy-16-(methoxycarbonyl)-4alpha-methylsarpagan-4-ium
Property Insights of (16R)-17-Hydroxy-16-(methoxycarbonyl)-4alpha-methylsarpagan-4-ium
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (16R)-17-Hydroxy-16-(methoxycarbonyl)-4alpha-methylsarpagan-4-ium. The TPSA of 62.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (16R)-17-Hydroxy-16-(methoxycarbonyl)-4alpha-methylsarpagan-4-ium. Following Lipinski's Rule of Five, (16R)-17-Hydroxy-16-(methoxycarbonyl)-4alpha-methylsarpagan-4-ium has 2 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 (16R)-17-Hydroxy-16-(methoxycarbonyl)-4alpha-methylsarpagan-4-ium?
The CAS number of (16R)-17-Hydroxy-16-(methoxycarbonyl)-4alpha-methylsarpagan-4-ium is 6801-39-4.
What is the molecular formula of (16R)-17-Hydroxy-16-(methoxycarbonyl)-4alpha-methylsarpagan-4-ium?
The molecular formula of (16R)-17-Hydroxy-16-(methoxycarbonyl)-4alpha-methylsarpagan-4-ium is C22H27N2O3+.
What is the molecular weight of (16R)-17-Hydroxy-16-(methoxycarbonyl)-4alpha-methylsarpagan-4-ium?
The molecular weight of (16R)-17-Hydroxy-16-(methoxycarbonyl)-4alpha-methylsarpagan-4-ium is 367.20 g/mol.
Where can I buy (16R)-17-Hydroxy-16-(methoxycarbonyl)-4alpha-methylsarpagan-4-ium?
You can request a quote for (16R)-17-Hydroxy-16-(methoxycarbonyl)-4alpha-methylsarpagan-4-ium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (16R)-17-Hydroxy-16-(methoxycarbonyl)-4alpha-methylsarpagan-4-ium?
Yes, KEHONG BIO provides custom synthesis services for (16R)-17-Hydroxy-16-(methoxycarbonyl)-4alpha-methylsarpagan-4-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.