![1-chloro-4-[(1R)-1-isocyanatoethyl]benzene structure](/static/products/745/745783-71-5.png)
1-chloro-4-[(1R)-1-isocyanatoethyl]benzene
TL;DR: 1-chloro-4-[(1R)-1-isocyanatoethyl]benzene (CAS 745783-71-5) is a chemical compound with molecular formula C9H8ClNO and molecular weight 181.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-4-[(1R)-1-isocyanatoethyl]benzene
Also Known As: 1-chloro-4-[(1R)-1-isocyanatoethyl]benzene, (R)-(+)-1-(4-Chlorophenyl)ethyl isocyanate, (1R)-1-(4-chlorophenyl)ethanisocyanate, 1-Chloro-4-(1R)-1-isocyanatoethylbenzene, 1-chloro-4-((1R)-1-isocyanatoethyl)benzene
| Molecular Formula | C9H8ClNO |
|---|---|
| Molecular Weight | 181.03 g/mol |
| LogP | 2.7368 |
| Topological Polar Surface Area | 29.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 181.02943 |
| Heavy Atoms | 12 |
| Complexity | 300.8095 |
Chemical Identifiers
| CAS Number | 745783-71-5 |
|---|---|
| SMILES | C[C@H](C1=CC=C(C=C1)Cl)N=C=O |
Product Overview
1-chloro-4-[(1R)-1-isocyanatoethyl]benzene (CAS 745783-71-5), with molecular formula C9H8ClNO and molecular weight 181.03 g/mol. IUPAC: 1-chloro-4-[(1R)-1-isocyanatoethyl]benzene.
Chemical Property Profile of 1-chloro-4-[(1R)-1-isocyanatoethyl]benzene
Property Insights of 1-chloro-4-[(1R)-1-isocyanatoethyl]benzene
The XLogP value of 2.7368 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-chloro-4-[(1R)-1-isocyanatoethyl]benzene. With a topological polar surface area (TPSA) of 29.43 Ų, 1-chloro-4-[(1R)-1-isocyanatoethyl]benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-chloro-4-[(1R)-1-isocyanatoethyl]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 1-chloro-4-[(1R)-1-isocyanatoethyl]benzene?
The CAS number of 1-chloro-4-[(1R)-1-isocyanatoethyl]benzene is 745783-71-5.
What is the molecular formula of 1-chloro-4-[(1R)-1-isocyanatoethyl]benzene?
The molecular formula of 1-chloro-4-[(1R)-1-isocyanatoethyl]benzene is C9H8ClNO.
What is the molecular weight of 1-chloro-4-[(1R)-1-isocyanatoethyl]benzene?
The molecular weight of 1-chloro-4-[(1R)-1-isocyanatoethyl]benzene is 181.03 g/mol.
Where can I buy 1-chloro-4-[(1R)-1-isocyanatoethyl]benzene?
You can request a quote for 1-chloro-4-[(1R)-1-isocyanatoethyl]benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-chloro-4-[(1R)-1-isocyanatoethyl]benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-chloro-4-[(1R)-1-isocyanatoethyl]benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.