1,2-Propanediol, 3-(6-iodothymyloxy)-
TL;DR: 1,2-Propanediol, 3-(6-iodothymyloxy)- (CAS 2316-44-1) is a chemical compound with molecular formula C13H19IO3 and molecular weight 350.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-iodo-5-methyl-2-propan-2-ylphenoxy)propane-1,2-diol
Also Known As: 3-(6-Iodothymyloxy)-1,2-propanediol, 1,2-Propanediol, 3-(6-iodothymyloxy)-, 3-(4-iodo-5-methyl-2-propan-2-ylphenoxy)propane-1,2-diol, 3-[4-Iodo-5-methyl-2-(propan-2-yl)phenoxy]propane-1,2-diol, BRN 2560629
| Molecular Formula | C13H19IO3 |
|---|---|
| Molecular Weight | 350.04 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 350.0379 |
| Heavy Atoms | 17 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 2316-44-1 |
|---|---|
| SMILES | CC1=CC(=C(C=C1I)C(C)C)OCC(CO)O |
| InChIKey | GGWQOPGJOUJJOK-UHFFFAOYSA-N |
Product Overview
1,2-Propanediol, 3-(6-iodothymyloxy)- (CAS 2316-44-1), with molecular formula C13H19IO3 and molecular weight 350.04 g/mol. IUPAC: 3-(4-iodo-5-methyl-2-propan-2-ylphenoxy)propane-1,2-diol.
Chemical Property Profile of 1,2-Propanediol, 3-(6-iodothymyloxy)-
Property Insights of 1,2-Propanediol, 3-(6-iodothymyloxy)-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Propanediol, 3-(6-iodothymyloxy)-. With a topological polar surface area (TPSA) of 49.7 Ų, 1,2-Propanediol, 3-(6-iodothymyloxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Propanediol, 3-(6-iodothymyloxy)- 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-(6-iodothymyloxy)-?
The CAS number of 1,2-Propanediol, 3-(6-iodothymyloxy)- is 2316-44-1.
What is the molecular formula of 1,2-Propanediol, 3-(6-iodothymyloxy)-?
The molecular formula of 1,2-Propanediol, 3-(6-iodothymyloxy)- is C13H19IO3.
What is the molecular weight of 1,2-Propanediol, 3-(6-iodothymyloxy)-?
The molecular weight of 1,2-Propanediol, 3-(6-iodothymyloxy)- is 350.04 g/mol.
Where can I buy 1,2-Propanediol, 3-(6-iodothymyloxy)-?
You can request a quote for 1,2-Propanediol, 3-(6-iodothymyloxy)- 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-(6-iodothymyloxy)-?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Propanediol, 3-(6-iodothymyloxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.