3,3,3-Trichloro-1-nitropropene
TL;DR: 3,3,3-Trichloro-1-nitropropene (CAS 29899-87-4) is a chemical compound with molecular formula C3H2Cl3NO2 and molecular weight 188.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3,3-trichloro-1-nitroprop-1-ene
Also Known As: 3,3,3-trichloro-1-nitropropene, 3,3,3-trichloro-1-nitroprop-1-ene, 1-Propene, 3,3,3-trichloro-1-nitro-, (Z)-3,3,3-trichloro-1-nitroprop-1-ene, 1-Propene, 3,3,3-trichloro-1-nitro-, (1E)-
| Molecular Formula | C3H2Cl3NO2 |
|---|---|
| Molecular Weight | 188.92 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 188.91512 |
| Heavy Atoms | 9 |
| Complexity | 133.0 |
Chemical Identifiers
| CAS Number | 29899-87-4 |
|---|---|
| SMILES | C(=C[N+](=O)[O-])C(Cl)(Cl)Cl |
| InChIKey | WFDXHJPDAZMBMW-UHFFFAOYSA-N |
Product Overview
3,3,3-Trichloro-1-nitropropene (CAS 29899-87-4), with molecular formula C3H2Cl3NO2 and molecular weight 188.92 g/mol. IUPAC: 3,3,3-trichloro-1-nitroprop-1-ene.
Chemical Property Profile of 3,3,3-Trichloro-1-nitropropene
Property Insights of 3,3,3-Trichloro-1-nitropropene
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3,3-Trichloro-1-nitropropene. With a topological polar surface area (TPSA) of 45.8 Ų, 3,3,3-Trichloro-1-nitropropene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3,3-Trichloro-1-nitropropene 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 3,3,3-Trichloro-1-nitropropene?
The CAS number of 3,3,3-Trichloro-1-nitropropene is 29899-87-4.
What is the molecular formula of 3,3,3-Trichloro-1-nitropropene?
The molecular formula of 3,3,3-Trichloro-1-nitropropene is C3H2Cl3NO2.
What is the molecular weight of 3,3,3-Trichloro-1-nitropropene?
The molecular weight of 3,3,3-Trichloro-1-nitropropene is 188.92 g/mol.
Where can I buy 3,3,3-Trichloro-1-nitropropene?
You can request a quote for 3,3,3-Trichloro-1-nitropropene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3,3-Trichloro-1-nitropropene?
Yes, KEHONG BIO provides custom synthesis services for 3,3,3-Trichloro-1-nitropropene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.