M-DI(Sec-butyl)benzene
TL;DR: M-DI(Sec-butyl)benzene (CAS 1079-96-5) is a chemical compound with molecular formula C14H22 and molecular weight 190.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-di(butan-2-yl)benzene
Also Known As: M-DI(SEC-BUTYL)BENZENE, 1,3-Di-sec-butylbenzene, 1,3-di(butan-2-yl)benzene, Benzene, m-di-sec-butyl-, 1,3-di-s-butylbenzene
| Molecular Formula | C14H22 |
|---|---|
| Molecular Weight | 190.17 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 4 |
| Exact Mass | 190.17215 |
| Heavy Atoms | 14 |
| Complexity | 134.0 |
Chemical Identifiers
| CAS Number | 1079-96-5 |
|---|---|
| SMILES | CCC(C)C1=CC(=CC=C1)C(C)CC |
| InChIKey | SGJNVYYELDBNLA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
M-DI(Sec-butyl)benzene (CAS 1079-96-5), with molecular formula C14H22 and molecular weight 190.17 g/mol. IUPAC: 1,3-di(butan-2-yl)benzene.
Chemical Property Profile of M-DI(Sec-butyl)benzene
Property Insights of M-DI(Sec-butyl)benzene
The XLogP value of 5.3 indicates that M-DI(Sec-butyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, M-DI(Sec-butyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, M-DI(Sec-butyl)benzene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of M-DI(Sec-butyl)benzene?
The CAS number of M-DI(Sec-butyl)benzene is 1079-96-5.
What is the molecular formula of M-DI(Sec-butyl)benzene?
The molecular formula of M-DI(Sec-butyl)benzene is C14H22.
What is the molecular weight of M-DI(Sec-butyl)benzene?
The molecular weight of M-DI(Sec-butyl)benzene is 190.17 g/mol.
Where can I buy M-DI(Sec-butyl)benzene?
You can request a quote for M-DI(Sec-butyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for M-DI(Sec-butyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for M-DI(Sec-butyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.