2,4-Pentanediol, 2-(p-bromophenyl)-4-methyl-
TL;DR: 2,4-Pentanediol, 2-(p-bromophenyl)-4-methyl- (CAS 23964-31-0) is a chemical compound with molecular formula C12H17BrO2 and molecular weight 272.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromophenyl)-4-methylpentane-2,4-diol
Also Known As: 2-(4-bromophenyl)-4-methylpentane-2,4-diol, RD 6003, 2,4-Pentanediol, 2-(p-bromophenyl)-4-methyl-, 2,4-Pentanediol,2-(p-bromophenyl)-4-methyl, 2-(p-Bromophenyl)-4-methyl-2,4-pentanediol
| Molecular Formula | C12H17BrO2 |
|---|---|
| Molecular Weight | 272.04 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 272.0412 |
| Heavy Atoms | 15 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 23964-31-0 |
|---|---|
| SMILES | CC(C)(CC(C)(C1=CC=C(C=C1)Br)O)O |
| InChIKey | VVNFRLVEGCQIMB-UHFFFAOYSA-N |
Product Overview
2,4-Pentanediol, 2-(p-bromophenyl)-4-methyl- (CAS 23964-31-0), with molecular formula C12H17BrO2 and molecular weight 272.04 g/mol. IUPAC: 2-(4-bromophenyl)-4-methylpentane-2,4-diol.
Chemical Property Profile of 2,4-Pentanediol, 2-(p-bromophenyl)-4-methyl-
Property Insights of 2,4-Pentanediol, 2-(p-bromophenyl)-4-methyl-
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Pentanediol, 2-(p-bromophenyl)-4-methyl-. With a topological polar surface area (TPSA) of 40.5 Ų, 2,4-Pentanediol, 2-(p-bromophenyl)-4-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Pentanediol, 2-(p-bromophenyl)-4-methyl- 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 2,4-Pentanediol, 2-(p-bromophenyl)-4-methyl-?
The CAS number of 2,4-Pentanediol, 2-(p-bromophenyl)-4-methyl- is 23964-31-0.
What is the molecular formula of 2,4-Pentanediol, 2-(p-bromophenyl)-4-methyl-?
The molecular formula of 2,4-Pentanediol, 2-(p-bromophenyl)-4-methyl- is C12H17BrO2.
What is the molecular weight of 2,4-Pentanediol, 2-(p-bromophenyl)-4-methyl-?
The molecular weight of 2,4-Pentanediol, 2-(p-bromophenyl)-4-methyl- is 272.04 g/mol.
Where can I buy 2,4-Pentanediol, 2-(p-bromophenyl)-4-methyl-?
You can request a quote for 2,4-Pentanediol, 2-(p-bromophenyl)-4-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Pentanediol, 2-(p-bromophenyl)-4-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Pentanediol, 2-(p-bromophenyl)-4-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.