1,2-Propanediol, 3-(4-allyl-2-methoxyphenoxy)-, 1-carbamate
TL;DR: 1,2-Propanediol, 3-(4-allyl-2-methoxyphenoxy)-, 1-carbamate (CAS 398-59-4) is a chemical compound with molecular formula C14H19NO5 and molecular weight 281.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl] carbamate
Also Known As: 3-(4-Allyl-2-methoxyphenoxy)-1,2-propanediol 1-carbamate, 1,2-Propanediol, 3-(4-allyl-2-methoxyphenoxy)-, 1-carbamate, Carbamic acid 1-ester with 3-(4-allyl-2-methoxyphenoxy)-1,2-propanediol, [2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl] carbamate, RefChem:1052421
| Molecular Formula | C14H19NO5 |
|---|---|
| Molecular Weight | 281.13 g/mol |
| LogP | 1.5633 |
| Topological Polar Surface Area | 91.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 281.1263 |
| Heavy Atoms | 20 |
| Complexity | 472.6321 |
Chemical Identifiers
| CAS Number | 398-59-4 |
|---|---|
| SMILES | C/C=C/C1=CC(=C(C=C1)OCC(COC(=O)N)O)OC |
Product Overview
1,2-Propanediol, 3-(4-allyl-2-methoxyphenoxy)-, 1-carbamate (CAS 398-59-4), with molecular formula C14H19NO5 and molecular weight 281.13 g/mol. IUPAC: [2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl] carbamate.
Chemical Property Profile of 1,2-Propanediol, 3-(4-allyl-2-methoxyphenoxy)-, 1-carbamate
Property Insights of 1,2-Propanediol, 3-(4-allyl-2-methoxyphenoxy)-, 1-carbamate
The XLogP value of 1.5633 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Propanediol, 3-(4-allyl-2-methoxyphenoxy)-, 1-carbamate. The TPSA of 91.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Propanediol, 3-(4-allyl-2-methoxyphenoxy)-, 1-carbamate. Following Lipinski's Rule of Five, 1,2-Propanediol, 3-(4-allyl-2-methoxyphenoxy)-, 1-carbamate 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 1,2-Propanediol, 3-(4-allyl-2-methoxyphenoxy)-, 1-carbamate?
The CAS number of 1,2-Propanediol, 3-(4-allyl-2-methoxyphenoxy)-, 1-carbamate is 398-59-4.
What is the molecular formula of 1,2-Propanediol, 3-(4-allyl-2-methoxyphenoxy)-, 1-carbamate?
The molecular formula of 1,2-Propanediol, 3-(4-allyl-2-methoxyphenoxy)-, 1-carbamate is C14H19NO5.
What is the molecular weight of 1,2-Propanediol, 3-(4-allyl-2-methoxyphenoxy)-, 1-carbamate?
The molecular weight of 1,2-Propanediol, 3-(4-allyl-2-methoxyphenoxy)-, 1-carbamate is 281.13 g/mol.
Where can I buy 1,2-Propanediol, 3-(4-allyl-2-methoxyphenoxy)-, 1-carbamate?
You can request a quote for 1,2-Propanediol, 3-(4-allyl-2-methoxyphenoxy)-, 1-carbamate 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-(4-allyl-2-methoxyphenoxy)-, 1-carbamate?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Propanediol, 3-(4-allyl-2-methoxyphenoxy)-, 1-carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.