3,3-Diethoxypropyne
TL;DR: 3,3-Diethoxypropyne (CAS 10160-87-9) is a chemical compound with molecular formula C7H12O2 and molecular weight 128.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-diethoxyprop-1-yne
Also Known As: 3,3-diethoxyprop-1-yne, 3,3-Diethoxy-1-propyne, Propargylaldehyde diethyl acetal, 3,3-Diethoxypropyne, 1-Propyne, 3,3-diethoxy-
| Molecular Formula | C7H12O2 |
|---|---|
| Molecular Weight | 128.08 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 128.08372 |
| Heavy Atoms | 9 |
| Complexity | 94.0 |
Chemical Identifiers
| CAS Number | 10160-87-9 |
|---|---|
| SMILES | CCOC(C#C)OCC |
| InChIKey | RGUXEWWHSQGVRZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3-Diethoxypropyne (CAS 10160-87-9), with molecular formula C7H12O2 and molecular weight 128.08 g/mol. IUPAC: 3,3-diethoxyprop-1-yne.
Chemical Property Profile of 3,3-Diethoxypropyne
Property Insights of 3,3-Diethoxypropyne
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-Diethoxypropyne. With a topological polar surface area (TPSA) of 18.5 Ų, 3,3-Diethoxypropyne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Diethoxypropyne has 0 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 3,3-Diethoxypropyne?
The CAS number of 3,3-Diethoxypropyne is 10160-87-9.
What is the molecular formula of 3,3-Diethoxypropyne?
The molecular formula of 3,3-Diethoxypropyne is C7H12O2.
What is the molecular weight of 3,3-Diethoxypropyne?
The molecular weight of 3,3-Diethoxypropyne is 128.08 g/mol.
Where can I buy 3,3-Diethoxypropyne?
You can request a quote for 3,3-Diethoxypropyne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Diethoxypropyne?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Diethoxypropyne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.