4-Hydroxyhernandulcin
TL;DR: 4-Hydroxyhernandulcin (CAS 145385-64-4) is a chemical compound with molecular formula C15H24O3 and molecular weight 252.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R,6S)-4-hydroxy-6-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-3-methylcyclohex-2-en-1-one
Also Known As: 4-Hydroxyhernandulcin, (4R,6S)-4-hydroxy-6-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-3-methylcyclohex-2-en-1-one, 2-Cyclohexen-1-one, 4-hydroxy-6-(1-hydroxy-1,5-dimethyl-4-4-hexenyl)-3-methyl-, (4R-(4alpha,6beta(S*)))-, RefChem:99325
| Molecular Formula | C15H24O3 |
|---|---|
| Molecular Weight | 252.17 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 252.17255 |
| Heavy Atoms | 18 |
| Complexity | 377.0 |
Chemical Identifiers
| CAS Number | 145385-64-4 |
|---|---|
| SMILES | CC1=CC(=O)[C@@H](C[C@H]1O)[C@](C)(CCC=C(C)C)O |
| InChIKey | ABUUSHLXFTWWDH-NFAWXSAZSA-N |
Product Overview
4-Hydroxyhernandulcin (CAS 145385-64-4), with molecular formula C15H24O3 and molecular weight 252.17 g/mol. IUPAC: (4R,6S)-4-hydroxy-6-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-3-methylcyclohex-2-en-1-one.
Chemical Property Profile of 4-Hydroxyhernandulcin
Property Insights of 4-Hydroxyhernandulcin
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxyhernandulcin. With a topological polar surface area (TPSA) of 57.5 Ų, 4-Hydroxyhernandulcin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hydroxyhernandulcin has 2 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 4-Hydroxyhernandulcin?
The CAS number of 4-Hydroxyhernandulcin is 145385-64-4.
What is the molecular formula of 4-Hydroxyhernandulcin?
The molecular formula of 4-Hydroxyhernandulcin is C15H24O3.
What is the molecular weight of 4-Hydroxyhernandulcin?
The molecular weight of 4-Hydroxyhernandulcin is 252.17 g/mol.
Where can I buy 4-Hydroxyhernandulcin?
You can request a quote for 4-Hydroxyhernandulcin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxyhernandulcin?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxyhernandulcin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.