豆甾-5-烯-3β-基醚
TL;DR: 豆甾-5-烯-3β-基醚 (CAS 25694-37-5) is a chemical compound with molecular formula C58H98O and molecular weight 810.76 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
豆甾-5-烯-3β-基醚
(3S,10R,13R,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-3-[[(3S,10R,13R,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
Also Known As: Stigmast-5-en-3beta-yl ether, Sigmast-5-ene, 3,3'-oxybis-, (3beta-(3'beta)-, (3S,10R,13R,17R)-17-[(2R,5R)-5-ethyl-6-methyl-heptan-2-yl]-3-[[(3S,10R,13R,17R)-17-[(2R,5R)-5-ethyl-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15
| Molecular Formula | C58H98O |
|---|---|
| Molecular Weight | 810.76 g/mol |
| LogP | 19.7 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 14 |
| Exact Mass | 810.7618 |
| Heavy Atoms | 59 |
| Complexity | 1390.0 |
Chemical Identifiers
| CAS Number | 25694-37-5 |
|---|---|
| SMILES | CC[C@H](CC[C@@H](C)[C@H]1CCC2[C@@]1(CCC3C2CC=C4[C@@]3(CC[C@@H](C4)O[C@H]5CC[C@@]6(C7CC[C@@]8([C@H](CCC8C7CC=C6C5)[C@H](C)CC[C@@H](CC)C(C)C)C)C)C)C)C(C)C |
| InChIKey | ANCUQSSTCSIHDZ-YGPXDKEKSA-N |
Product Overview
豆甾-5-烯-3β-基醚 (CAS 25694-37-5), with molecular formula C58H98O and molecular weight 810.76 g/mol. IUPAC: (3S,10R,13R,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-3-[[(3S,10R,13R,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene.
Chemical Property Profile of 豆甾-5-烯-3β-基醚
Property Insights of 豆甾-5-烯-3β-基醚
The XLogP value of 19.7 indicates that 豆甾-5-烯-3β-基醚 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 豆甾-5-烯-3β-基醚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 豆甾-5-烯-3β-基醚 has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 豆甾-5-烯-3β-基醚?
The CAS number of 豆甾-5-烯-3β-基醚 is 25694-37-5.
What is the molecular formula of 豆甾-5-烯-3β-基醚?
The molecular formula of 豆甾-5-烯-3β-基醚 is C58H98O.
What is the molecular weight of 豆甾-5-烯-3β-基醚?
The molecular weight of 豆甾-5-烯-3β-基醚 is 810.76 g/mol.
Where can I buy 豆甾-5-烯-3β-基醚?
You can request a quote for 豆甾-5-烯-3β-基醚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 豆甾-5-烯-3β-基醚?
Yes, KEHONG BIO provides custom synthesis services for 豆甾-5-烯-3β-基醚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.