2-Penten-1-ol,5,5,5-trichloro-, 1-carbamate
TL;DR: 2-Penten-1-ol,5,5,5-trichloro-, 1-carbamate (CAS 4989-45-1) is a chemical compound with molecular formula C6H8Cl3NO2 and molecular weight 230.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5,5-trichloropent-2-enyl carbamate
Also Known As: 5,5,5-trichloropent-2-enyl carbamate, [(Z)-5,5,5-trichloropent-2-enyl] carbamate, 2-Penten-1-ol,5,5,5-trichloro-, 1-carbamate
| Molecular Formula | C6H8Cl3NO2 |
|---|---|
| Molecular Weight | 230.96 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 230.96207 |
| Heavy Atoms | 12 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 4989-45-1 |
|---|---|
| SMILES | C(C=CCOC(=O)N)C(Cl)(Cl)Cl |
| InChIKey | YYBAYZNFOLJZAL-UHFFFAOYSA-N |
Product Overview
2-Penten-1-ol,5,5,5-trichloro-, 1-carbamate (CAS 4989-45-1), with molecular formula C6H8Cl3NO2 and molecular weight 230.96 g/mol. IUPAC: 5,5,5-trichloropent-2-enyl carbamate.
Chemical Property Profile of 2-Penten-1-ol,5,5,5-trichloro-, 1-carbamate
Property Insights of 2-Penten-1-ol,5,5,5-trichloro-, 1-carbamate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Penten-1-ol,5,5,5-trichloro-, 1-carbamate. With a topological polar surface area (TPSA) of 52.3 Ų, 2-Penten-1-ol,5,5,5-trichloro-, 1-carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Penten-1-ol,5,5,5-trichloro-, 1-carbamate has 1 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-Penten-1-ol,5,5,5-trichloro-, 1-carbamate?
The CAS number of 2-Penten-1-ol,5,5,5-trichloro-, 1-carbamate is 4989-45-1.
What is the molecular formula of 2-Penten-1-ol,5,5,5-trichloro-, 1-carbamate?
The molecular formula of 2-Penten-1-ol,5,5,5-trichloro-, 1-carbamate is C6H8Cl3NO2.
What is the molecular weight of 2-Penten-1-ol,5,5,5-trichloro-, 1-carbamate?
The molecular weight of 2-Penten-1-ol,5,5,5-trichloro-, 1-carbamate is 230.96 g/mol.
Where can I buy 2-Penten-1-ol,5,5,5-trichloro-, 1-carbamate?
You can request a quote for 2-Penten-1-ol,5,5,5-trichloro-, 1-carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Penten-1-ol,5,5,5-trichloro-, 1-carbamate?
Yes, KEHONG BIO provides custom synthesis services for 2-Penten-1-ol,5,5,5-trichloro-, 1-carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.