Hyrtial
TL;DR: Hyrtial (CAS 5442-02-4) is a chemical compound with molecular formula C26H40O3 and molecular weight 400.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4aS,4bR,6R,6aR,10aS,10bR,12aS)-8-formyl-1,1,4a,6a,10b-pentamethyl-2,3,4,4b,5,6,7,10,10a,11,12,12a-dodecahydrochrysen-6-yl] acetate
Also Known As: Hyrtial, KST-1A0155, 12beta-acetoxy-25-nor-16-scalaren-24-al, 12beta-hydroxy-25-nor-16-scalaren-24-al, (4as,4br,6r,6ar,10as,10br,12as)-8-formyl-1,1,4a,6a,10b-pentamethyl-1,2,3,4,4a,4b,5,6,6a,7,10,10a,10b,11,12,12a-hexadecahydrochrysen-6-yl acetate
| Molecular Formula | C26H40O3 |
|---|---|
| Molecular Weight | 400.30 g/mol |
| LogP | 6.8 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 400.29776 |
| Heavy Atoms | 29 |
| Complexity | 736.0 |
Chemical Identifiers
| CAS Number | 5442-02-4 |
|---|---|
| SMILES | CC(=O)O[C@@H]1C[C@@H]2[C@]3(CCCC([C@@H]3CC[C@]2([C@H]4[C@]1(CC(=CC4)C=O)C)C)(C)C)C |
| InChIKey | PTMXVTMFEPDKJQ-GAZMYWJLSA-N |
Product Overview
Hyrtial (CAS 5442-02-4), with molecular formula C26H40O3 and molecular weight 400.30 g/mol. IUPAC: [(4aS,4bR,6R,6aR,10aS,10bR,12aS)-8-formyl-1,1,4a,6a,10b-pentamethyl-2,3,4,4b,5,6,7,10,10a,11,12,12a-dodecahydrochrysen-6-yl] acetate.
Chemical Property Profile of Hyrtial
Property Insights of Hyrtial
The XLogP value of 6.8 indicates that Hyrtial is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, Hyrtial exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hyrtial has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hyrtial?
The CAS number of Hyrtial is 5442-02-4.
What is the molecular formula of Hyrtial?
The molecular formula of Hyrtial is C26H40O3.
What is the molecular weight of Hyrtial?
The molecular weight of Hyrtial is 400.30 g/mol.
Where can I buy Hyrtial?
You can request a quote for Hyrtial directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hyrtial?
Yes, KEHONG BIO provides custom synthesis services for Hyrtial and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.