新戊二醇
TL;DR: 新戊二醇 (CAS 126-30-7) is a chemical compound with molecular formula C5H12O2 and molecular weight 104.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
新戊二醇
2,2-dimethylpropane-1,3-diol
Also Known As: Neopentyl glycol, 2,2-Dimethylpropane-1,3-diol, 2,2-DIMETHYL-1,3-PROPANEDIOL, Neopentanediol, Dimethylolpropane
| Molecular Formula | C5H12O2 |
|---|---|
| Molecular Weight | 104.08 g/mol |
| LogP | 0.0 |
| 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 | 44.0 |
| Melting Point | 127.0 °C |
| Boiling Point | 208.0 °C at 760 mmHg |
| Density | 1.1 g/cu cm |
| Solubility | In water, 83 g/100 mL at 20 °C |
| Flash Point | 107.2 °C |
| Vapor Pressure | 0.22 [mmHg] |
Chemical Identifiers
| CAS Number | 126-30-7 |
|---|---|
| SMILES | CC(C)(CO)CO |
| InChIKey | SLCVBVWXLSEKPL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
新戊二醇 (CAS 126-30-7), with molecular formula C5H12O2 and molecular weight 104.08 g/mol. IUPAC: 2,2-dimethylpropane-1,3-diol.
Chemical Property Profile of 新戊二醇
Property Insights of 新戊二醇
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 新戊二醇. With a topological polar surface area (TPSA) of 40.5 Ų, 新戊二醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 新戊二醇 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 新戊二醇?
The CAS number of 新戊二醇 is 126-30-7.
What is the molecular formula of 新戊二醇?
The molecular formula of 新戊二醇 is C5H12O2.
What is the molecular weight of 新戊二醇?
The molecular weight of 新戊二醇 is 104.08 g/mol.
Where can I buy 新戊二醇?
You can request a quote for 新戊二醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 新戊二醇?
Yes, KEHONG BIO provides custom synthesis services for 新戊二醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.