1,1-Dimethoxy-4-phenylbutan-2-one
TL;DR: 1,1-Dimethoxy-4-phenylbutan-2-one (CAS 6956-46-3) is a chemical compound with molecular formula C12H16O3 and molecular weight 208.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dimethoxy-4-phenylbutan-2-one
Also Known As: 1,1-dimethoxy-4-phenylbutan-2-one, KST-1B8973, 1,1-Dimethoxy-4-phenyl-2-butanone, 2-Butanone,1,1-dimethoxy-4-phenyl-, alpha-Oxobenzenebutanal dimethyl acetal
| Molecular Formula | C12H16O3 |
|---|---|
| Molecular Weight | 208.11 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 208.10994 |
| Heavy Atoms | 15 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 6956-46-3 |
|---|---|
| SMILES | COC(C(=O)CCC1=CC=CC=C1)OC |
| InChIKey | YUJCSDHAKBLSAV-UHFFFAOYSA-N |
Product Overview
1,1-Dimethoxy-4-phenylbutan-2-one (CAS 6956-46-3), with molecular formula C12H16O3 and molecular weight 208.11 g/mol. IUPAC: 1,1-dimethoxy-4-phenylbutan-2-one.
Chemical Property Profile of 1,1-Dimethoxy-4-phenylbutan-2-one
Property Insights of 1,1-Dimethoxy-4-phenylbutan-2-one
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Dimethoxy-4-phenylbutan-2-one. With a topological polar surface area (TPSA) of 35.5 Ų, 1,1-Dimethoxy-4-phenylbutan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Dimethoxy-4-phenylbutan-2-one has 0 hydrogen bond donor(s) and 3 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 1,1-Dimethoxy-4-phenylbutan-2-one?
The CAS number of 1,1-Dimethoxy-4-phenylbutan-2-one is 6956-46-3.
What is the molecular formula of 1,1-Dimethoxy-4-phenylbutan-2-one?
The molecular formula of 1,1-Dimethoxy-4-phenylbutan-2-one is C12H16O3.
What is the molecular weight of 1,1-Dimethoxy-4-phenylbutan-2-one?
The molecular weight of 1,1-Dimethoxy-4-phenylbutan-2-one is 208.11 g/mol.
Where can I buy 1,1-Dimethoxy-4-phenylbutan-2-one?
You can request a quote for 1,1-Dimethoxy-4-phenylbutan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Dimethoxy-4-phenylbutan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Dimethoxy-4-phenylbutan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.