RefChem:1072679
TL;DR: RefChem:1072679 (CAS 40279-51-4) is a chemical compound with molecular formula C36H52O9 and molecular weight 628.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,5S,10S,13R,14S,17R)-3-[[(3aR,6R)-2,4-dimethyl-2-[(E)-pent-3-enyl]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]oxy]-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
Also Known As: 6-Methylhepten-5-on-2-helveticosid, FG 798, 6-Methylhepten-5-on-2-helveticosid [German], 5-beta-Card-20(22)-enolide, 3-beta-((2,6-dideoxy-3,4-O-(1-methyl-4-hexenylidene)-beta-D-ribo-hexopyranosyl)oxy)-5,14-dihydroxy-19-oxo-, (3S,5S,10S,13R,14S,17R)-3-[[(3aR,6R)-2,4-dimethyl-2-[(E)-pent-3-enyl]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]oxy]-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
| Molecular Formula | C36H52O9 |
|---|---|
| Molecular Weight | 628.36 g/mol |
| LogP | 4.9139 |
| Topological Polar Surface Area | 120.75 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 628.36115 |
| Heavy Atoms | 45 |
| Complexity | 1248.7495 |
Chemical Identifiers
| CAS Number | 40279-51-4 |
|---|---|
| SMILES | C/C=C/CCC1(O[C@@H]2C(O[C@H](CC2O1)O[C@H]3CC[C@@]4(C5CC[C@@]6([C@H](CC[C@@]6(C5CC[C@@]4(C3)O)O)C7=CC(=O)OC7)C)C=O)C)C |
Product Overview
RefChem:1072679 (CAS 40279-51-4), with molecular formula C36H52O9 and molecular weight 628.36 g/mol. IUPAC: (3S,5S,10S,13R,14S,17R)-3-[[(3aR,6R)-2,4-dimethyl-2-[(E)-pent-3-enyl]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]oxy]-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde.
Chemical Property Profile of RefChem:1072679
Property Insights of RefChem:1072679
The XLogP value of 4.9139 indicates that RefChem:1072679 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.75 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1072679. Following Lipinski's Rule of Five, RefChem:1072679 has 2 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 RefChem:1072679?
The CAS number of RefChem:1072679 is 40279-51-4.
What is the molecular formula of RefChem:1072679?
The molecular formula of RefChem:1072679 is C36H52O9.
What is the molecular weight of RefChem:1072679?
The molecular weight of RefChem:1072679 is 628.36 g/mol.
Where can I buy RefChem:1072679?
You can request a quote for RefChem:1072679 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1072679?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1072679 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.