3-甲基环己-3,5-二烯-1,2-二醇
TL;DR: 3-甲基环己-3,5-二烯-1,2-二醇 (CAS 41977-20-2) is a chemical compound with molecular formula C7H10O2 and molecular weight 126.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-甲基环己-3,5-二烯-1,2-二醇
3-methylcyclohexa-3,5-diene-1,2-diol
Also Known As: toluene-cis-dihydrodiol, 3-methylcyclohexa-3,5-diene-1,2-diol, c0283, 1,2-Dihydroxy-3-methylcyclohexa-3,5-diene
| Molecular Formula | C7H10O2 |
|---|---|
| Molecular Weight | 126.07 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 126.06808 |
| Heavy Atoms | 9 |
| Complexity | 158.0 |
Chemical Identifiers
| CAS Number | 41977-20-2 |
|---|---|
| SMILES | CC1=CC=CC(C1O)O |
| InChIKey | FTZZKLFGNQOODA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-甲基环己-3,5-二烯-1,2-二醇 (CAS 41977-20-2), with molecular formula C7H10O2 and molecular weight 126.07 g/mol. IUPAC: 3-methylcyclohexa-3,5-diene-1,2-diol.
Chemical Property Profile of 3-甲基环己-3,5-二烯-1,2-二醇
Property Insights of 3-甲基环己-3,5-二烯-1,2-二醇
The XLogP value of -0.1 indicates that 3-甲基环己-3,5-二烯-1,2-二醇 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.5 Ų, 3-甲基环己-3,5-二烯-1,2-二醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-甲基环己-3,5-二烯-1,2-二醇 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 3-甲基环己-3,5-二烯-1,2-二醇?
The CAS number of 3-甲基环己-3,5-二烯-1,2-二醇 is 41977-20-2.
What is the molecular formula of 3-甲基环己-3,5-二烯-1,2-二醇?
The molecular formula of 3-甲基环己-3,5-二烯-1,2-二醇 is C7H10O2.
What is the molecular weight of 3-甲基环己-3,5-二烯-1,2-二醇?
The molecular weight of 3-甲基环己-3,5-二烯-1,2-二醇 is 126.07 g/mol.
Where can I buy 3-甲基环己-3,5-二烯-1,2-二醇?
You can request a quote for 3-甲基环己-3,5-二烯-1,2-二醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-甲基环己-3,5-二烯-1,2-二醇?
Yes, KEHONG BIO provides custom synthesis services for 3-甲基环己-3,5-二烯-1,2-二醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.