16-Hydroxycleroda-3,13(14)-dien-15,16-olide
TL;DR: 16-Hydroxycleroda-3,13(14)-dien-15,16-olide (CAS 92593-91-4) is a chemical compound with molecular formula C20H30O3 and molecular weight 318.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-3-[2-[(2R,4aR,8aR)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-2-hydroxy-2H-furan-5-one
Also Known As: 16-Hcdo, KST-1A9232, 16-Hydroxycleroda-3,13(14)-dien-15,16-olide, SID:135727494, (5r)-5-hydroxy-4-{2-[(2r,4ar,8ar)-1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl]ethyl}furan-2(5h)-one
| Molecular Formula | C20H30O3 |
|---|---|
| Molecular Weight | 318.22 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 318.21948 |
| Heavy Atoms | 23 |
| Complexity | 561.0 |
Chemical Identifiers
| CAS Number | 92593-91-4 |
|---|---|
| SMILES | C[C@@H]1CC[C@@]2([C@@H](C1(C)CCC3=CC(=O)O[C@H]3O)CCC=C2C)C |
| InChIKey | LVSCWEDTMWAASP-AQEMGIOASA-N |
Product Overview
16-Hydroxycleroda-3,13(14)-dien-15,16-olide (CAS 92593-91-4), with molecular formula C20H30O3 and molecular weight 318.22 g/mol. IUPAC: (2R)-3-[2-[(2R,4aR,8aR)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-2-hydroxy-2H-furan-5-one.
Chemical Property Profile of 16-Hydroxycleroda-3,13(14)-dien-15,16-olide
Property Insights of 16-Hydroxycleroda-3,13(14)-dien-15,16-olide
The XLogP value of 4.5 indicates that 16-Hydroxycleroda-3,13(14)-dien-15,16-olide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 16-Hydroxycleroda-3,13(14)-dien-15,16-olide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 16-Hydroxycleroda-3,13(14)-dien-15,16-olide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 16-Hydroxycleroda-3,13(14)-dien-15,16-olide?
The CAS number of 16-Hydroxycleroda-3,13(14)-dien-15,16-olide is 92593-91-4.
What is the molecular formula of 16-Hydroxycleroda-3,13(14)-dien-15,16-olide?
The molecular formula of 16-Hydroxycleroda-3,13(14)-dien-15,16-olide is C20H30O3.
What is the molecular weight of 16-Hydroxycleroda-3,13(14)-dien-15,16-olide?
The molecular weight of 16-Hydroxycleroda-3,13(14)-dien-15,16-olide is 318.22 g/mol.
Where can I buy 16-Hydroxycleroda-3,13(14)-dien-15,16-olide?
You can request a quote for 16-Hydroxycleroda-3,13(14)-dien-15,16-olide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 16-Hydroxycleroda-3,13(14)-dien-15,16-olide?
Yes, KEHONG BIO provides custom synthesis services for 16-Hydroxycleroda-3,13(14)-dien-15,16-olide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.