Einecs 245-631-4
TL;DR: Einecs 245-631-4 (CAS 23394-07-2) is a chemical compound with molecular formula C33H48O9 and molecular weight 588.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-3-[(2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl)oxy]-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] formate
Also Known As: [14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-3-[(2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl)oxy]-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] formate|3-{[2,6-dideoxy-3,4-o-(1-methylethylidene)hexopyranosyl]oxy}-16-(formyloxy)-14-hydroxycard-20(22)-enolide|[14-Hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-3-[(2,2,4-trimethyl-4,6,7,7a-tetrahydro-3ah-[1,3]dioxolo[4,5-c]pyran-6-yl)oxy]-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthr|3beta-((2,6-Dideoxy-3,4-O-isopropylidene-beta-D -ribo-hexopyranosyl)oxy)-14,16beta-dihydroxy-5beta-card-20(22)-enolide 16-formate
| Molecular Formula | C33H48O9 |
|---|---|
| Molecular Weight | 588.33 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 588.32983 |
| Heavy Atoms | 42 |
| Complexity | 1140.0 |
Chemical Identifiers
| CAS Number | 23394-07-2 |
|---|---|
| SMILES | CC1C2C(CC(O1)OC3CCC4(C(C3)CCC5C4CCC6(C5(CC(C6C7=CC(=O)OC7)OC=O)O)C)C)OC(O2)(C)C |
| InChIKey | RHUWHHKCSPTUNK-UHFFFAOYSA-N |
Product Overview
Einecs 245-631-4 (CAS 23394-07-2), with molecular formula C33H48O9 and molecular weight 588.33 g/mol. IUPAC: [14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-3-[(2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl)oxy]-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] formate.
Chemical Property Profile of Einecs 245-631-4
Property Insights of Einecs 245-631-4
The XLogP value of 3.4 indicates that Einecs 245-631-4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Einecs 245-631-4. Following Lipinski's Rule of Five, Einecs 245-631-4 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Einecs 245-631-4?
The CAS number of Einecs 245-631-4 is 23394-07-2.
What is the molecular formula of Einecs 245-631-4?
The molecular formula of Einecs 245-631-4 is C33H48O9.
What is the molecular weight of Einecs 245-631-4?
The molecular weight of Einecs 245-631-4 is 588.33 g/mol.
Where can I buy Einecs 245-631-4?
You can request a quote for Einecs 245-631-4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 245-631-4?
Yes, KEHONG BIO provides custom synthesis services for Einecs 245-631-4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.