RefChem:435441
TL;DR: RefChem:435441 (CAS 116-22-3) is a chemical compound with molecular formula C44H70O5 and molecular weight 678.52 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,9,10,10a-decahydrophenanthrene-1-carbonyl)oxyethoxy]ethyl 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,9,10,10a-decahydrophenanthrene-1-carboxylate
Also Known As: oxydiethane-2,1-diyl bisabiet-8(14)-en-18-oate, Oxydi(ethane-2,1-diyl) diabiet-8(14)-en-18-oate, 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a-dimethyl-7-(1-methylethyl)-, oxydi-2,1-ethanediyl ester, (1R,1'R,4aS,4'aS,4bS,4'bS,7S,7'S,10aR,10'aR)-, 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a-dimethyl-7-(1-methylethyl)-, 1,1'-(oxydi-2,1-ethanediyl) ester, (1R,1'R,4aS,4'aS,4bS,4'bS,7S,7'S,10aR,10'aR)-, 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a-dimethyl-7-(1-methylethyl)-, oxydi-2,1-ethanediyl ester, (1R-(1alpha(1'R*,4'aS*,4'bS*,7'S*,10'aR*),4abeta,4balpha,7alpha,10
| Molecular Formula | C44H70O5 |
|---|---|
| Molecular Weight | 678.52 g/mol |
| LogP | 11.3 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 678.52234 |
| Heavy Atoms | 49 |
| Complexity | 1180.0 |
Chemical Identifiers
| CAS Number | 116-22-3 |
|---|---|
| SMILES | CC(C)C1CCC2C(=C1)CCC3C2(CCCC3(C)C(=O)OCCOCCOC(=O)C4(CCCC5(C4CCC6=CC(CCC65)C(C)C)C)C)C |
| InChIKey | QSWONYVPBOBZDL-UHFFFAOYSA-N |
Product Overview
RefChem:435441 (CAS 116-22-3), with molecular formula C44H70O5 and molecular weight 678.52 g/mol. IUPAC: 2-[2-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,9,10,10a-decahydrophenanthrene-1-carbonyl)oxyethoxy]ethyl 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,9,10,10a-decahydrophenanthrene-1-carboxylate.
Chemical Property Profile of RefChem:435441
Property Insights of RefChem:435441
The XLogP value of 11.3 indicates that RefChem:435441 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:435441. Following Lipinski's Rule of Five, RefChem:435441 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:435441?
The CAS number of RefChem:435441 is 116-22-3.
What is the molecular formula of RefChem:435441?
The molecular formula of RefChem:435441 is C44H70O5.
What is the molecular weight of RefChem:435441?
The molecular weight of RefChem:435441 is 678.52 g/mol.
Where can I buy RefChem:435441?
You can request a quote for RefChem:435441 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:435441?
Yes, KEHONG BIO provides custom synthesis services for RefChem:435441 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.