仲丁苯
TL;DR: 仲丁苯 (CAS 135-98-8) is a chemical compound with molecular formula C10H14 and molecular weight 134.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
仲丁苯
butan-2-ylbenzene
Also Known As: SEC-BUTYLBENZENE, 2-Phenylbutane, 1-sec-butylbenzene, Secondary butylbenzene, (1-Methylpropyl)benzene
| Molecular Formula | C10H14 |
|---|---|
| Molecular Weight | 134.11 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 134.10954 |
| Heavy Atoms | 10 |
| Complexity | 80.0 |
| Melting Point | -82.7 °C |
| Boiling Point | 173.5 °C |
| Density | 0.8580 g/cu cm @ 25 °C |
| Solubility | In water, 17.6 mg/L @ 25 °C |
| Flash Point | 52.2 °C (52 °C) closed cup |
| Vapor Pressure | 1.75 [mmHg] |
| Refractive Index | = 1.48980 @ 20 °C |
Chemical Identifiers
| CAS Number | 135-98-8 |
|---|---|
| SMILES | CCC(C)C1=CC=CC=C1 |
| InChIKey | ZJMWRROPUADPEA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
仲丁苯 (CAS 135-98-8), with molecular formula C10H14 and molecular weight 134.11 g/mol. IUPAC: butan-2-ylbenzene.
Chemical Property Profile of 仲丁苯
Property Insights of 仲丁苯
The XLogP value of 4.2 indicates that 仲丁苯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 仲丁苯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 仲丁苯 has 0 hydrogen bond donor(s) and 0 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 仲丁苯?
The CAS number of 仲丁苯 is 135-98-8.
What is the molecular formula of 仲丁苯?
The molecular formula of 仲丁苯 is C10H14.
What is the molecular weight of 仲丁苯?
The molecular weight of 仲丁苯 is 134.11 g/mol.
Where can I buy 仲丁苯?
You can request a quote for 仲丁苯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 仲丁苯?
Yes, KEHONG BIO provides custom synthesis services for 仲丁苯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.