1,2-Propanediol, 3-(5,6,7,8-tetrahydro-2-naphthyloxy)-
TL;DR: 1,2-Propanediol, 3-(5,6,7,8-tetrahydro-2-naphthyloxy)- (CAS 63991-84-4) 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.
3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propane-1,2-diol
Also Known As: beta-Tnp, 3- -1,2-propanediol, 3-(5,6,7,8-Tetrahydro-2-naphthyloxy)-1,2-propanediol, 4-06-00-03855 (Beilstein Handbook Reference), 1,2-Propanediol, 3-(5,6,7,8-tetrahydro-2-naphthyloxy)-
| Molecular Formula | C13H18O3 |
|---|---|
| Molecular Weight | 222.13 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 222.1256 |
| Heavy Atoms | 16 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 63991-84-4 |
|---|---|
| SMILES | C1CCC2=C(C1)C=CC(=C2)OCC(CO)O |
| InChIKey | RQKDNQXTAVOGPU-UHFFFAOYSA-N |
Product Overview
1,2-Propanediol, 3-(5,6,7,8-tetrahydro-2-naphthyloxy)- (CAS 63991-84-4), with molecular formula C13H18O3 and molecular weight 222.13 g/mol. IUPAC: 3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propane-1,2-diol.
Chemical Property Profile of 1,2-Propanediol, 3-(5,6,7,8-tetrahydro-2-naphthyloxy)-
Property Insights of 1,2-Propanediol, 3-(5,6,7,8-tetrahydro-2-naphthyloxy)-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Propanediol, 3-(5,6,7,8-tetrahydro-2-naphthyloxy)-. With a topological polar surface area (TPSA) of 49.7 Ų, 1,2-Propanediol, 3-(5,6,7,8-tetrahydro-2-naphthyloxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Propanediol, 3-(5,6,7,8-tetrahydro-2-naphthyloxy)- 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 1,2-Propanediol, 3-(5,6,7,8-tetrahydro-2-naphthyloxy)-?
The CAS number of 1,2-Propanediol, 3-(5,6,7,8-tetrahydro-2-naphthyloxy)- is 63991-84-4.
What is the molecular formula of 1,2-Propanediol, 3-(5,6,7,8-tetrahydro-2-naphthyloxy)-?
The molecular formula of 1,2-Propanediol, 3-(5,6,7,8-tetrahydro-2-naphthyloxy)- is C13H18O3.
What is the molecular weight of 1,2-Propanediol, 3-(5,6,7,8-tetrahydro-2-naphthyloxy)-?
The molecular weight of 1,2-Propanediol, 3-(5,6,7,8-tetrahydro-2-naphthyloxy)- is 222.13 g/mol.
Where can I buy 1,2-Propanediol, 3-(5,6,7,8-tetrahydro-2-naphthyloxy)-?
You can request a quote for 1,2-Propanediol, 3-(5,6,7,8-tetrahydro-2-naphthyloxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Propanediol, 3-(5,6,7,8-tetrahydro-2-naphthyloxy)-?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Propanediol, 3-(5,6,7,8-tetrahydro-2-naphthyloxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.