1,4-Butanediol, 3-methyl-1-phenyl-
TL;DR: 1,4-Butanediol, 3-methyl-1-phenyl- (CAS 30414-28-9) is a chemical compound with molecular formula C11H16O2 and molecular weight 180.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1-phenylbutane-1,4-diol
Also Known As: 3-Methyl-1-phenyl-1,4-butanediol, 3-methyl-1-phenylbutane-1,4-diol, 1,4-Butanediol, 3-methyl-1-phenyl-, 3-Methyl-1-phenyl-1,4-butanediol #
| Molecular Formula | C11H16O2 |
|---|---|
| Molecular Weight | 180.12 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 180.11504 |
| Heavy Atoms | 13 |
| Complexity | 130.0 |
Chemical Identifiers
| CAS Number | 30414-28-9 |
|---|---|
| SMILES | CC(CC(C1=CC=CC=C1)O)CO |
| InChIKey | STCQQLBAPJKVAW-UHFFFAOYSA-N |
Product Overview
1,4-Butanediol, 3-methyl-1-phenyl- (CAS 30414-28-9), with molecular formula C11H16O2 and molecular weight 180.12 g/mol. IUPAC: 3-methyl-1-phenylbutane-1,4-diol.
Chemical Property Profile of 1,4-Butanediol, 3-methyl-1-phenyl-
Property Insights of 1,4-Butanediol, 3-methyl-1-phenyl-
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Butanediol, 3-methyl-1-phenyl-. With a topological polar surface area (TPSA) of 40.5 Ų, 1,4-Butanediol, 3-methyl-1-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Butanediol, 3-methyl-1-phenyl- 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 1,4-Butanediol, 3-methyl-1-phenyl-?
The CAS number of 1,4-Butanediol, 3-methyl-1-phenyl- is 30414-28-9.
What is the molecular formula of 1,4-Butanediol, 3-methyl-1-phenyl-?
The molecular formula of 1,4-Butanediol, 3-methyl-1-phenyl- is C11H16O2.
What is the molecular weight of 1,4-Butanediol, 3-methyl-1-phenyl-?
The molecular weight of 1,4-Butanediol, 3-methyl-1-phenyl- is 180.12 g/mol.
Where can I buy 1,4-Butanediol, 3-methyl-1-phenyl-?
You can request a quote for 1,4-Butanediol, 3-methyl-1-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Butanediol, 3-methyl-1-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Butanediol, 3-methyl-1-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.