1,3-Propanediol, 3-(4-allyl-2-methoxy-6-(1-pyrrolidinylmethyl)phenoxy)-
TL;DR: 1,3-Propanediol, 3-(4-allyl-2-methoxy-6-(1-pyrrolidinylmethyl)phenoxy)- (CAS 102612-78-2) is a chemical compound with molecular formula C18H27NO4 and molecular weight 321.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-methoxy-4-prop-2-enyl-6-(pyrrolidin-1-ylmethyl)phenoxy]propane-1,3-diol
Also Known As: 3-(4-Allyl-2-methoxy-6-(1-pyrrolidinylmethyl)phenoxy)-1,3-propanediol, 1,3-Propanediol, 3-(4-allyl-2-methoxy-6-(1-pyrrolidinylmethyl)phenoxy)-, 1-[2-methoxy-4-prop-2-enyl-6-(pyrrolidin-1-ylmethyl)phenoxy]propane-1,3-diol, 1,3-Propanediol, 3-(4-allyl-2-methoxy-6-(1-pyrrolidinylmethyl)phenoxy) -, 3-(4-amino-2-methoxybenzoyl)oxypropyl-diethylazanium dihydrogenphosphate
| Molecular Formula | C18H27NO4 |
|---|---|
| Molecular Weight | 321.19 g/mol |
| LogP | 2.0991 |
| Topological Polar Surface Area | 62.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 321.194 |
| Heavy Atoms | 23 |
| Complexity | 511.9882 |
Chemical Identifiers
| CAS Number | 102612-78-2 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC(CCO)O)CN2CCCC2)CC=C |
Product Overview
1,3-Propanediol, 3-(4-allyl-2-methoxy-6-(1-pyrrolidinylmethyl)phenoxy)- (CAS 102612-78-2), with molecular formula C18H27NO4 and molecular weight 321.19 g/mol. IUPAC: 1-[2-methoxy-4-prop-2-enyl-6-(pyrrolidin-1-ylmethyl)phenoxy]propane-1,3-diol.
Chemical Property Profile of 1,3-Propanediol, 3-(4-allyl-2-methoxy-6-(1-pyrrolidinylmethyl)phenoxy)-
Property Insights of 1,3-Propanediol, 3-(4-allyl-2-methoxy-6-(1-pyrrolidinylmethyl)phenoxy)-
The XLogP value of 2.0991 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Propanediol, 3-(4-allyl-2-methoxy-6-(1-pyrrolidinylmethyl)phenoxy)-. The TPSA of 62.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Propanediol, 3-(4-allyl-2-methoxy-6-(1-pyrrolidinylmethyl)phenoxy)-. Following Lipinski's Rule of Five, 1,3-Propanediol, 3-(4-allyl-2-methoxy-6-(1-pyrrolidinylmethyl)phenoxy)- has 2 hydrogen bond donor(s) and 5 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 1,3-Propanediol, 3-(4-allyl-2-methoxy-6-(1-pyrrolidinylmethyl)phenoxy)-?
The CAS number of 1,3-Propanediol, 3-(4-allyl-2-methoxy-6-(1-pyrrolidinylmethyl)phenoxy)- is 102612-78-2.
What is the molecular formula of 1,3-Propanediol, 3-(4-allyl-2-methoxy-6-(1-pyrrolidinylmethyl)phenoxy)-?
The molecular formula of 1,3-Propanediol, 3-(4-allyl-2-methoxy-6-(1-pyrrolidinylmethyl)phenoxy)- is C18H27NO4.
What is the molecular weight of 1,3-Propanediol, 3-(4-allyl-2-methoxy-6-(1-pyrrolidinylmethyl)phenoxy)-?
The molecular weight of 1,3-Propanediol, 3-(4-allyl-2-methoxy-6-(1-pyrrolidinylmethyl)phenoxy)- is 321.19 g/mol.
Where can I buy 1,3-Propanediol, 3-(4-allyl-2-methoxy-6-(1-pyrrolidinylmethyl)phenoxy)-?
You can request a quote for 1,3-Propanediol, 3-(4-allyl-2-methoxy-6-(1-pyrrolidinylmethyl)phenoxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Propanediol, 3-(4-allyl-2-methoxy-6-(1-pyrrolidinylmethyl)phenoxy)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediol, 3-(4-allyl-2-methoxy-6-(1-pyrrolidinylmethyl)phenoxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.