1,3-Propanediol, 2-methylene-
TL;DR: 1,3-Propanediol, 2-methylene- (CAS 3513-81-3) is a chemical compound with molecular formula C4H8O2 and molecular weight 88.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylidenepropane-1,3-diol
Also Known As: 2-Methylene-1,3-propanediol, 2-Methylenepropane-1,3-diol, 2-methylidenepropane-1,3-diol, Benzylmercaptan, 1,3-Propanediol, 2-methylene-
| Molecular Formula | C4H8O2 |
|---|---|
| Molecular Weight | 88.05 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 88.05243 |
| Heavy Atoms | 6 |
| Complexity | 43.0 |
Chemical Identifiers
| CAS Number | 3513-81-3 |
|---|---|
| SMILES | C=C(CO)CO |
| InChIKey | JFFYKITVXPZLQS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Propanediol, 2-methylene- (CAS 3513-81-3), with molecular formula C4H8O2 and molecular weight 88.05 g/mol. IUPAC: 2-methylidenepropane-1,3-diol.
Chemical Property Profile of 1,3-Propanediol, 2-methylene-
Property Insights of 1,3-Propanediol, 2-methylene-
The XLogP value of -0.4 indicates that 1,3-Propanediol, 2-methylene- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.5 Ų, 1,3-Propanediol, 2-methylene- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Propanediol, 2-methylene- has 2 hydrogen bond donor(s) and 2 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, 2-methylene-?
The CAS number of 1,3-Propanediol, 2-methylene- is 3513-81-3.
What is the molecular formula of 1,3-Propanediol, 2-methylene-?
The molecular formula of 1,3-Propanediol, 2-methylene- is C4H8O2.
What is the molecular weight of 1,3-Propanediol, 2-methylene-?
The molecular weight of 1,3-Propanediol, 2-methylene- is 88.05 g/mol.
Where can I buy 1,3-Propanediol, 2-methylene-?
You can request a quote for 1,3-Propanediol, 2-methylene- 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, 2-methylene-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediol, 2-methylene- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.