2-Chloro-4-isocyanato-1-(1-methylethyl)benzene
TL;DR: 2-Chloro-4-isocyanato-1-(1-methylethyl)benzene (CAS 34123-50-7) is a chemical compound with molecular formula C10H10ClNO and molecular weight 195.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-4-isocyanato-1-propan-2-ylbenzene
Also Known As: 2-chloro-4-isocyanato-1-isopropylbenzene, 2-Chloro-4-isocyanato-1-(1-methylethyl)benzene, 2-chloro-4-isocyanato-1- benzene, 2-chloro-4-isocyanato-1-propan-2-ylbenzene, 2-chloro-4-isocyanato-1-(propan-2-yl)benzene
| Molecular Formula | C10H10ClNO |
|---|---|
| Molecular Weight | 195.05 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 29.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 195.04509 |
| Heavy Atoms | 13 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 34123-50-7 |
|---|---|
| SMILES | CC(C)C1=C(C=C(C=C1)N=C=O)Cl |
| InChIKey | ATVMYSGNLDWVSC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloro-4-isocyanato-1-(1-methylethyl)benzene (CAS 34123-50-7), with molecular formula C10H10ClNO and molecular weight 195.05 g/mol. IUPAC: 2-chloro-4-isocyanato-1-propan-2-ylbenzene.
Chemical Property Profile of 2-Chloro-4-isocyanato-1-(1-methylethyl)benzene
Property Insights of 2-Chloro-4-isocyanato-1-(1-methylethyl)benzene
The XLogP value of 4.5 indicates that 2-Chloro-4-isocyanato-1-(1-methylethyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.4 Ų, 2-Chloro-4-isocyanato-1-(1-methylethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-4-isocyanato-1-(1-methylethyl)benzene has 0 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-Chloro-4-isocyanato-1-(1-methylethyl)benzene?
The CAS number of 2-Chloro-4-isocyanato-1-(1-methylethyl)benzene is 34123-50-7.
What is the molecular formula of 2-Chloro-4-isocyanato-1-(1-methylethyl)benzene?
The molecular formula of 2-Chloro-4-isocyanato-1-(1-methylethyl)benzene is C10H10ClNO.
What is the molecular weight of 2-Chloro-4-isocyanato-1-(1-methylethyl)benzene?
The molecular weight of 2-Chloro-4-isocyanato-1-(1-methylethyl)benzene is 195.05 g/mol.
Where can I buy 2-Chloro-4-isocyanato-1-(1-methylethyl)benzene?
You can request a quote for 2-Chloro-4-isocyanato-1-(1-methylethyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-4-isocyanato-1-(1-methylethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-4-isocyanato-1-(1-methylethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.