2,3-Pentanediol
TL;DR: 2,3-Pentanediol (CAS 4518-45-0) is a chemical compound with molecular formula CCC(C(C)O)O and molecular weight 104.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentane-2,3-diol
Also Known As: Pentane-2,3-diol, 2,3-Pentanediol, methyl butane 2,3-diol, SID:124360329, 255-632-1
| Molecular Formula | CCC(C(C)O)O |
|---|---|
| Molecular Weight | 104.08 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 104.08373 |
| Heavy Atoms | 7 |
| Complexity | 45.0 |
Chemical Identifiers
| CAS Number | 4518-45-0 |
|---|---|
| SMILES | CCC(C(C)O)O |
| InChIKey | XLMFDCKSFJWJTP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3-Pentanediol (CAS 4518-45-0), with molecular formula CCC(C(C)O)O and molecular weight 104.08 g/mol. IUPAC: pentane-2,3-diol.
Chemical Property Profile of 2,3-Pentanediol
Property Insights of 2,3-Pentanediol
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Pentanediol. With a topological polar surface area (TPSA) of 40.5 Ų, 2,3-Pentanediol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Pentanediol 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 2,3-Pentanediol?
The CAS number of 2,3-Pentanediol is 4518-45-0.
What is the molecular formula of 2,3-Pentanediol?
The molecular formula of 2,3-Pentanediol is CCC(C(C)O)O.
What is the molecular weight of 2,3-Pentanediol?
The molecular weight of 2,3-Pentanediol is 104.08 g/mol.
Where can I buy 2,3-Pentanediol?
You can request a quote for 2,3-Pentanediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Pentanediol?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Pentanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.