二氢哇巴因
TL;DR: 二氢哇巴因 (CAS 1183-35-3) is a chemical compound with molecular formula C29H46O12 and molecular weight 586.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二氢哇巴因
4-[1,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxolan-2-one
Also Known As: Dihydroouabin, Birinapant, DIHYDROOUABAIN, Dihydro-g-strophathin, 4-18-00-03552 (Beilstein Handbook Reference)
| Molecular Formula | C29H46O12 |
|---|---|
| Molecular Weight | 586.30 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 207.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 4 |
| Exact Mass | 586.29895 |
| Heavy Atoms | 41 |
| Complexity | 1030.0 |
Chemical Identifiers
| CAS Number | 1183-35-3 |
|---|---|
| SMILES | CC1C(C(C(C(O1)OC2CC(C3(C4C(CCC3(C2)O)C5(CCC(C5(CC4O)C)C6CC(=O)OC6)O)CO)O)O)O)O |
| InChIKey | ZTFGOPUOTATSAL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二氢哇巴因 (CAS 1183-35-3), with molecular formula C29H46O12 and molecular weight 586.30 g/mol. IUPAC: 4-[1,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxolan-2-one.
Chemical Property Profile of 二氢哇巴因
Property Insights of 二氢哇巴因
The XLogP value of -1.2 indicates that 二氢哇巴因 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 207.0 Ų indicates high polarity, suggesting 二氢哇巴因 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dihydroouabin has 8 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dihydroouabin?
The CAS number of Dihydroouabin is 1183-35-3.
What is the molecular formula of Dihydroouabin?
The molecular formula of Dihydroouabin is C29H46O12.
What is the molecular weight of Dihydroouabin?
The molecular weight of Dihydroouabin is 586.30 g/mol.
Where can I buy Dihydroouabin?
You can request a quote for Dihydroouabin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dihydroouabin?
Yes, KEHONG BIO provides custom synthesis services for Dihydroouabin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.