ChemDiv1_024835
TL;DR: ChemDiv1_024835 (CAS 372144-33-7) is a chemical compound with molecular formula C14H13Cl3N2O3 and molecular weight 362.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butoxy-8-(2,3,3-trichloro-1-nitroprop-2-enylidene)-7-azabicyclo[4.2.0]octa-1(6),2,4-triene
Also Known As: ChemDiv1_024835, 3-Butoxy-8-(2,3,3-trichloro-1-nitro-2-propen-1-ylidene)-7-azabicyclo[4.2.0]octa-1,3,5-triene, 3-Butoxy-8-(2,3,3-trichloro-1-nitroprop-2-en-1-ylidene)-7-azabicyclo[4.2.0]octa-1,3,5-triene, 3-Butoxy-8-(2,3,3-trichloro-1-nitroprop-2-enylidene)-7-azabicyclo[4.2.0]octa-1(6),2,4-triene, 4-butoxy-7-(2,3,3-trichloro-1-nitroprop-2-enylidene)-8-azabicyclo[4.2.0]octa-1(6),2,4-triene
| Molecular Formula | C14H13Cl3N2O3 |
|---|---|
| Molecular Weight | 362.00 g/mol |
| LogP | 5.1218 |
| Topological Polar Surface Area | 64.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 361.99918 |
| Heavy Atoms | 22 |
| Complexity | 667.29694 |
Chemical Identifiers
| CAS Number | 372144-33-7 |
|---|---|
| SMILES | CCCCOC1=CC2=C(C=C1)NC2=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-] |
Product Overview
ChemDiv1_024835 (CAS 372144-33-7), with molecular formula C14H13Cl3N2O3 and molecular weight 362.00 g/mol. IUPAC: 3-butoxy-8-(2,3,3-trichloro-1-nitroprop-2-enylidene)-7-azabicyclo[4.2.0]octa-1(6),2,4-triene.
Chemical Property Profile of ChemDiv1_024835
Property Insights of ChemDiv1_024835
The XLogP value of 5.1218 indicates that ChemDiv1_024835 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_024835. Following Lipinski's Rule of Five, ChemDiv1_024835 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_024835?
The CAS number of ChemDiv1_024835 is 372144-33-7.
What is the molecular formula of ChemDiv1_024835?
The molecular formula of ChemDiv1_024835 is C14H13Cl3N2O3.
What is the molecular weight of ChemDiv1_024835?
The molecular weight of ChemDiv1_024835 is 362.00 g/mol.
Where can I buy ChemDiv1_024835?
You can request a quote for ChemDiv1_024835 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_024835?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_024835 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.