cis-3a,4,9,9a-Tetrahydro-2,2-dimethylnaphtho(2,3-d)-1,3-dioxol-5-ol
TL;DR: cis-3a,4,9,9a-Tetrahydro-2,2-dimethylnaphtho(2,3-d)-1,3-dioxol-5-ol (CAS 52187-19-6) is a chemical compound with molecular formula C13H16O3 and molecular weight 220.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethyl-3a,4,9,9a-tetrahydrobenzo[f][1,3]benzodioxol-5-ol
Also Known As: cis-3a,4,9,9a-Tetrahydro-2,2-dimethylnaphtho(2,3-d)-1,3-dioxol-5-ol, 2,2-Dimethyl-3a,4,9,9a-tetrahydronaphtho[2,3-d][1,3]dioxol-5-ol, 2,2-dimethyl-3a,4,9,9a-tetrahydrobenzo[f][1,3]benzodioxol-5-ol, cis-3a,4,9,9a-tetrahydro-2,2-dimethylnaphtho[2,3-d]-1,3-dioxol-5-ol, 1-CARBETHOXYCYCLOPROPYLTRIPHENYLPHOSPHONIUM TETRAFLUOROBORATE
| Molecular Formula | C13H16O3 |
|---|---|
| Molecular Weight | 220.11 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 220.10994 |
| Heavy Atoms | 16 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 52187-19-6 |
|---|---|
| SMILES | CC1(OC2CC3=C(CC2O1)C(=CC=C3)O)C |
| InChIKey | VHQZRMCDYDICCK-UHFFFAOYSA-N |
Product Overview
cis-3a,4,9,9a-Tetrahydro-2,2-dimethylnaphtho(2,3-d)-1,3-dioxol-5-ol (CAS 52187-19-6), with molecular formula C13H16O3 and molecular weight 220.11 g/mol. IUPAC: 2,2-dimethyl-3a,4,9,9a-tetrahydrobenzo[f][1,3]benzodioxol-5-ol.
Chemical Property Profile of cis-3a,4,9,9a-Tetrahydro-2,2-dimethylnaphtho(2,3-d)-1,3-dioxol-5-ol
Property Insights of cis-3a,4,9,9a-Tetrahydro-2,2-dimethylnaphtho(2,3-d)-1,3-dioxol-5-ol
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for cis-3a,4,9,9a-Tetrahydro-2,2-dimethylnaphtho(2,3-d)-1,3-dioxol-5-ol. With a topological polar surface area (TPSA) of 38.7 Ų, cis-3a,4,9,9a-Tetrahydro-2,2-dimethylnaphtho(2,3-d)-1,3-dioxol-5-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, cis-3a,4,9,9a-Tetrahydro-2,2-dimethylnaphtho(2,3-d)-1,3-dioxol-5-ol 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 cis-3a,4,9,9a-Tetrahydro-2,2-dimethylnaphtho(2,3-d)-1,3-dioxol-5-ol?
The CAS number of cis-3a,4,9,9a-Tetrahydro-2,2-dimethylnaphtho(2,3-d)-1,3-dioxol-5-ol is 52187-19-6.
What is the molecular formula of cis-3a,4,9,9a-Tetrahydro-2,2-dimethylnaphtho(2,3-d)-1,3-dioxol-5-ol?
The molecular formula of cis-3a,4,9,9a-Tetrahydro-2,2-dimethylnaphtho(2,3-d)-1,3-dioxol-5-ol is C13H16O3.
What is the molecular weight of cis-3a,4,9,9a-Tetrahydro-2,2-dimethylnaphtho(2,3-d)-1,3-dioxol-5-ol?
The molecular weight of cis-3a,4,9,9a-Tetrahydro-2,2-dimethylnaphtho(2,3-d)-1,3-dioxol-5-ol is 220.11 g/mol.
Where can I buy cis-3a,4,9,9a-Tetrahydro-2,2-dimethylnaphtho(2,3-d)-1,3-dioxol-5-ol?
You can request a quote for cis-3a,4,9,9a-Tetrahydro-2,2-dimethylnaphtho(2,3-d)-1,3-dioxol-5-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for cis-3a,4,9,9a-Tetrahydro-2,2-dimethylnaphtho(2,3-d)-1,3-dioxol-5-ol?
Yes, KEHONG BIO provides custom synthesis services for cis-3a,4,9,9a-Tetrahydro-2,2-dimethylnaphtho(2,3-d)-1,3-dioxol-5-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.