3-羟基胆甾-7-烯-14-甲醛
TL;DR: 3-羟基胆甾-7-烯-14-甲醛 (CAS 72994-87-7) is a chemical compound with molecular formula C28H46O2 and molecular weight 414.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-羟基胆甾-7-烯-14-甲醛
(3S,5S,9R,10S,13R,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,6,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-14-carbaldehyde
Also Known As: HCEC, Isoeruboside B, Iso-eruboside B, 3-Hydroxycholest-7-ene-14-carbaldehyde, KST-1A7914
| Molecular Formula | C28H46O2 |
|---|---|
| Molecular Weight | 414.35 g/mol |
| LogP | 7.3 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 414.3498 |
| Heavy Atoms | 30 |
| Complexity | 680.0 |
Chemical Identifiers
| CAS Number | 72994-87-7 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)[C@H]1CCC2([C@@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C)C=O |
| InChIKey | JLEPZAUPTZFVIM-RHIZIOMBSA-N |
Product Overview
3-羟基胆甾-7-烯-14-甲醛 (CAS 72994-87-7), with molecular formula C28H46O2 and molecular weight 414.35 g/mol. IUPAC: (3S,5S,9R,10S,13R,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,6,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-14-carbaldehyde.
Chemical Property Profile of 3-羟基胆甾-7-烯-14-甲醛
Property Insights of 3-羟基胆甾-7-烯-14-甲醛
The XLogP value of 7.3 indicates that 3-羟基胆甾-7-烯-14-甲醛 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 3-羟基胆甾-7-烯-14-甲醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-羟基胆甾-7-烯-14-甲醛 has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-羟基胆甾-7-烯-14-甲醛?
The CAS number of 3-羟基胆甾-7-烯-14-甲醛 is 72994-87-7.
What is the molecular formula of 3-羟基胆甾-7-烯-14-甲醛?
The molecular formula of 3-羟基胆甾-7-烯-14-甲醛 is C28H46O2.
What is the molecular weight of 3-羟基胆甾-7-烯-14-甲醛?
The molecular weight of 3-羟基胆甾-7-烯-14-甲醛 is 414.35 g/mol.
Where can I buy 3-羟基胆甾-7-烯-14-甲醛?
You can request a quote for 3-羟基胆甾-7-烯-14-甲醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-羟基胆甾-7-烯-14-甲醛?
Yes, KEHONG BIO provides custom synthesis services for 3-羟基胆甾-7-烯-14-甲醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.