1,3-Pentanediol, 2-ethyl-
TL;DR: 1,3-Pentanediol, 2-ethyl- (CAS 29887-11-4) is a chemical compound with molecular formula C7H16O2 and molecular weight 132.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylpentane-1,3-diol
Also Known As: 2-ethylpentane-1,3-diol, 2-Ethyl-1,3-pentanediol, 1,3-Pentanediol, 2-ethyl-, 1,3-Pentanediol,2-ethyl-, 2-Aethyl-4-methylbutandiol-1,3
| Molecular Formula | C7H16O2 |
|---|---|
| Molecular Weight | 132.12 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 132.11504 |
| Heavy Atoms | 9 |
| Complexity | 63.0 |
Chemical Identifiers
| CAS Number | 29887-11-4 |
|---|---|
| SMILES | CCC(CO)C(CC)O |
| InChIKey | CMFPYSAYYUSFQC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Pentanediol, 2-ethyl- (CAS 29887-11-4), with molecular formula C7H16O2 and molecular weight 132.12 g/mol. IUPAC: 2-ethylpentane-1,3-diol.
Chemical Property Profile of 1,3-Pentanediol, 2-ethyl-
Property Insights of 1,3-Pentanediol, 2-ethyl-
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Pentanediol, 2-ethyl-. With a topological polar surface area (TPSA) of 40.5 Ų, 1,3-Pentanediol, 2-ethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Pentanediol, 2-ethyl- 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-Pentanediol, 2-ethyl-?
The CAS number of 1,3-Pentanediol, 2-ethyl- is 29887-11-4.
What is the molecular formula of 1,3-Pentanediol, 2-ethyl-?
The molecular formula of 1,3-Pentanediol, 2-ethyl- is C7H16O2.
What is the molecular weight of 1,3-Pentanediol, 2-ethyl-?
The molecular weight of 1,3-Pentanediol, 2-ethyl- is 132.12 g/mol.
Where can I buy 1,3-Pentanediol, 2-ethyl-?
You can request a quote for 1,3-Pentanediol, 2-ethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Pentanediol, 2-ethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Pentanediol, 2-ethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.