1,6-Benzodioxocin-8-methanol, 2,3,4,5-tetrahydro-alpha-ethyl-
TL;DR: 1,6-Benzodioxocin-8-methanol, 2,3,4,5-tetrahydro-alpha-ethyl- (CAS 137150-47-1) is a chemical compound with molecular formula C13H18O3 and molecular weight 222.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-yl)propan-1-ol
Also Known As: alpha-Ethyl-2,3,4,5-tetrahydro-1,6-benzodioxocin-8-methanol, 1,6-Benzodioxocin-8-methanol, 2,3,4,5-tetrahydro-alpha-ethyl-, 1-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-yl)propan-1-ol, 1,6-Benzodioxocin-8-methanol, alpha-ethyl-2,3,4,5-tetrahydro-, 2,3,4,5-Tetrahydro-8-(1-hydroxypropyl)-1,6-benzodioxocin
| Molecular Formula | C13H18O3 |
|---|---|
| Molecular Weight | 222.13 g/mol |
| LogP | 2.6814 |
| Topological Polar Surface Area | 38.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.1256 |
| Heavy Atoms | 16 |
| Complexity | 349.03098 |
Chemical Identifiers
| CAS Number | 137150-47-1 |
|---|---|
| SMILES | CCC(C1=CC2=C(C=C1)OCCCCO2)O |
Product Overview
1,6-Benzodioxocin-8-methanol, 2,3,4,5-tetrahydro-alpha-ethyl- (CAS 137150-47-1), with molecular formula C13H18O3 and molecular weight 222.13 g/mol. IUPAC: 1-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-yl)propan-1-ol.
Chemical Property Profile of 1,6-Benzodioxocin-8-methanol, 2,3,4,5-tetrahydro-alpha-ethyl-
Property Insights of 1,6-Benzodioxocin-8-methanol, 2,3,4,5-tetrahydro-alpha-ethyl-
The XLogP value of 2.6814 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,6-Benzodioxocin-8-methanol, 2,3,4,5-tetrahydro-alpha-ethyl-. With a topological polar surface area (TPSA) of 38.69 Ų, 1,6-Benzodioxocin-8-methanol, 2,3,4,5-tetrahydro-alpha-ethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,6-Benzodioxocin-8-methanol, 2,3,4,5-tetrahydro-alpha-ethyl- 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 1,6-Benzodioxocin-8-methanol, 2,3,4,5-tetrahydro-alpha-ethyl-?
The CAS number of 1,6-Benzodioxocin-8-methanol, 2,3,4,5-tetrahydro-alpha-ethyl- is 137150-47-1.
What is the molecular formula of 1,6-Benzodioxocin-8-methanol, 2,3,4,5-tetrahydro-alpha-ethyl-?
The molecular formula of 1,6-Benzodioxocin-8-methanol, 2,3,4,5-tetrahydro-alpha-ethyl- is C13H18O3.
What is the molecular weight of 1,6-Benzodioxocin-8-methanol, 2,3,4,5-tetrahydro-alpha-ethyl-?
The molecular weight of 1,6-Benzodioxocin-8-methanol, 2,3,4,5-tetrahydro-alpha-ethyl- is 222.13 g/mol.
Where can I buy 1,6-Benzodioxocin-8-methanol, 2,3,4,5-tetrahydro-alpha-ethyl-?
You can request a quote for 1,6-Benzodioxocin-8-methanol, 2,3,4,5-tetrahydro-alpha-ethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,6-Benzodioxocin-8-methanol, 2,3,4,5-tetrahydro-alpha-ethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,6-Benzodioxocin-8-methanol, 2,3,4,5-tetrahydro-alpha-ethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.