日齐素
TL;DR: 日齐素 (CAS 18178-54-6) is a chemical compound with molecular formula C14H22O2 and molecular weight 222.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
日齐素
(1S,2R,3R,7R)-1-methyl-7-prop-1-en-2-yl-1,2,3,4,5,6,7,8-octahydronaphthalene-2,3-diol
Also Known As: Rishitin, (-)-Rishitin, Risbitin, hydrazinomethyltriazolylaminehydrochloride, (1s,2r,3r,7r)-1-methyl-7-(prop-1-en-2-yl)-1,2,3,4,5,6,7,8-octahydronaphthalene-2,3-diol
| Molecular Formula | C14H22O2 |
|---|---|
| Molecular Weight | 222.16 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 222.16199 |
| Heavy Atoms | 16 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 18178-54-6 |
|---|---|
| SMILES | C[C@@H]1[C@H]([C@@H](CC2=C1C[C@@H](CC2)C(=C)C)O)O |
| InChIKey | XSCYYIVXGBKTOC-GZZJDILISA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
日齐素 (CAS 18178-54-6), with molecular formula C14H22O2 and molecular weight 222.16 g/mol. IUPAC: (1S,2R,3R,7R)-1-methyl-7-prop-1-en-2-yl-1,2,3,4,5,6,7,8-octahydronaphthalene-2,3-diol.
Chemical Property Profile of 日齐素
Property Insights of 日齐素
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 日齐素. With a topological polar surface area (TPSA) of 40.5 Ų, 日齐素 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 日齐素 has 2 hydrogen bond donor(s) and 2 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 日齐素?
The CAS number of 日齐素 is 18178-54-6.
What is the molecular formula of 日齐素?
The molecular formula of 日齐素 is C14H22O2.
What is the molecular weight of 日齐素?
The molecular weight of 日齐素 is 222.16 g/mol.
Where can I buy 日齐素?
You can request a quote for 日齐素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 日齐素?
Yes, KEHONG BIO provides custom synthesis services for 日齐素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.