EINECS 243-480-9
TL;DR: EINECS 243-480-9 (CAS 20045-09-4) is a chemical compound with molecular formula C31H48O9 and molecular weight 564.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-(4,5-dimethoxy-6-methyloxan-2-yl)oxy-5,14-dihydroxy-10-(hydroxymethyl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Also Known As: 3-[(2,6-dideoxy-3,4-di-o-methylhexopyranosyl)oxy]-5,14,19-trihydroxycard-20(22)-enolide, 3-[3-(4,5-dimethoxy-6-methyloxan-2-yl)oxy-5,14-dihydroxy-10-(hydroxymethyl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one, (3beta,5beta)-3-((2,6-Dideoxy-3,4-di-O-methyl-beta-D -ribo-hexopyranosyl)oxy)-5,14,19-trihydroxycard-20(22)-enolide, (3beta,5beta)-3-((2,6-Dideoxy-3,4-di-O-methyl-beta-D-ribo-hexopyranosyl)oxy)-5,14,19-trihydroxycard-20(22)-enolide, (3beta,5beta)-3-[(2,6-dideoxy-3,4-di-O-methyl-beta-D-ribo-hexopyranosyl)oxy]-5,14,19-trihydroxycard-20(22)-enolide
| Molecular Formula | C31H48O9 |
|---|---|
| Molecular Weight | 564.33 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 564.32983 |
| Heavy Atoms | 40 |
| Complexity | 1020.0 |
Chemical Identifiers
| CAS Number | 20045-09-4 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)CO)OC)OC |
| InChIKey | VGZQSTTXBJBTFN-UHFFFAOYSA-N |
Product Overview
EINECS 243-480-9 (CAS 20045-09-4), with molecular formula C31H48O9 and molecular weight 564.33 g/mol. IUPAC: 3-[3-(4,5-dimethoxy-6-methyloxan-2-yl)oxy-5,14-dihydroxy-10-(hydroxymethyl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one.
Chemical Property Profile of EINECS 243-480-9
Property Insights of EINECS 243-480-9
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 243-480-9. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 243-480-9. Following Lipinski's Rule of Five, EINECS 243-480-9 has 3 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 243-480-9?
The CAS number of EINECS 243-480-9 is 20045-09-4.
What is the molecular formula of EINECS 243-480-9?
The molecular formula of EINECS 243-480-9 is C31H48O9.
What is the molecular weight of EINECS 243-480-9?
The molecular weight of EINECS 243-480-9 is 564.33 g/mol.
Where can I buy EINECS 243-480-9?
You can request a quote for EINECS 243-480-9 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 243-480-9?
Yes, KEHONG BIO provides custom synthesis services for EINECS 243-480-9 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.