RefChem:317870
TL;DR: RefChem:317870 (CAS 58892-94-7) is a chemical compound with molecular formula C30H39N2O4+ and molecular weight 491.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(9R,10S,13S,14R,16S,18R)-13-ethyl-15-[2-hydroxy-3-(3-methylphenoxy)propyl]-8-methyl-8-aza-15-azoniahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol
Also Known As: (17R,21-alpha)-17,21-Dihydroxy-4-(2-hydroxy-3-(m-methylphenoxy)propyl)ajmalanium, Ajmalanium, 17,21-dihydroxy-4-(2-hydroxy-3-(m-methylphenoxy)propyl)-, (17R,21-alpha)-, BRN 4052059, RefChem:317870
| Molecular Formula | C30H39N2O4+ |
|---|---|
| Molecular Weight | 491.29 g/mol |
| LogP | 2.81762 |
| Topological Polar Surface Area | 73.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 491.291 |
| Heavy Atoms | 36 |
| Complexity | 1189.0438 |
Chemical Identifiers
| CAS Number | 58892-94-7 |
|---|---|
| SMILES | CC[C@@H]1[C@H]([N+]2([C@H]3CC1C4[C@@H]2CC5([C@H]3N(C6=CC=CC=C65)C)[C@@H]4O)CC(COC7=CC=CC(=C7)C)O)O |
Product Overview
RefChem:317870 (CAS 58892-94-7), with molecular formula C30H39N2O4+ and molecular weight 491.29 g/mol. IUPAC: (9R,10S,13S,14R,16S,18R)-13-ethyl-15-[2-hydroxy-3-(3-methylphenoxy)propyl]-8-methyl-8-aza-15-azoniahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol.
Chemical Property Profile of RefChem:317870
Property Insights of RefChem:317870
The XLogP value of 2.81762 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:317870. The TPSA of 73.16 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:317870. Following Lipinski's Rule of Five, RefChem:317870 has 3 hydrogen bond donor(s) and 5 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 RefChem:317870?
The CAS number of RefChem:317870 is 58892-94-7.
What is the molecular formula of RefChem:317870?
The molecular formula of RefChem:317870 is C30H39N2O4+.
What is the molecular weight of RefChem:317870?
The molecular weight of RefChem:317870 is 491.29 g/mol.
Where can I buy RefChem:317870?
You can request a quote for RefChem:317870 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:317870?
Yes, KEHONG BIO provides custom synthesis services for RefChem:317870 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.