sec-butyl 2,4-dichloro-N-(3-pyridinyl)benzenecarboximidoate
TL;DR: sec-butyl 2,4-dichloro-N-(3-pyridinyl)benzenecarboximidoate (CAS 75897-09-5) is a chemical compound with molecular formula C16H16Cl2N2O and molecular weight 322.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butan-2-yl 2,4-dichloro-N-pyridin-3-ylbenzenecarboximidate
Also Known As: sec-butyl 2,4-dichloro-N-(3-pyridinyl)benzenecarboximidoate, butan-2-yl 2,4-dichloro-N-pyridin-3-ylbenzenecarboximidate, (E)-(butan-2-yl 2,4-dichloro-N-(pyridin-3-yl)benzene-1-carboximidate), sec-butyl 2,4-dichloro-N-(pyridin-3-yl)benzenecarboximidate, 1-butan-2-yloxy-1-(2,4-dichlorophenyl)-N-pyridin-3-yl-methanimine
| Molecular Formula | C16H16Cl2N2O |
|---|---|
| Molecular Weight | 322.06 g/mol |
| LogP | 5.2818 |
| Topological Polar Surface Area | 34.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 322.06396 |
| Heavy Atoms | 21 |
| Complexity | 629.429 |
Chemical Identifiers
| CAS Number | 75897-09-5 |
|---|---|
| SMILES | CCC(C)OC(=NC1=CN=CC=C1)C2=C(C=C(C=C2)Cl)Cl |
Product Overview
sec-butyl 2,4-dichloro-N-(3-pyridinyl)benzenecarboximidoate (CAS 75897-09-5), with molecular formula C16H16Cl2N2O and molecular weight 322.06 g/mol. IUPAC: butan-2-yl 2,4-dichloro-N-pyridin-3-ylbenzenecarboximidate.
Chemical Property Profile of sec-butyl 2,4-dichloro-N-(3-pyridinyl)benzenecarboximidoate
Property Insights of sec-butyl 2,4-dichloro-N-(3-pyridinyl)benzenecarboximidoate
The XLogP value of 5.2818 indicates that sec-butyl 2,4-dichloro-N-(3-pyridinyl)benzenecarboximidoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.48 Ų, sec-butyl 2,4-dichloro-N-(3-pyridinyl)benzenecarboximidoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, sec-butyl 2,4-dichloro-N-(3-pyridinyl)benzenecarboximidoate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of sec-butyl 2,4-dichloro-N-(3-pyridinyl)benzenecarboximidoate?
The CAS number of sec-butyl 2,4-dichloro-N-(3-pyridinyl)benzenecarboximidoate is 75897-09-5.
What is the molecular formula of sec-butyl 2,4-dichloro-N-(3-pyridinyl)benzenecarboximidoate?
The molecular formula of sec-butyl 2,4-dichloro-N-(3-pyridinyl)benzenecarboximidoate is C16H16Cl2N2O.
What is the molecular weight of sec-butyl 2,4-dichloro-N-(3-pyridinyl)benzenecarboximidoate?
The molecular weight of sec-butyl 2,4-dichloro-N-(3-pyridinyl)benzenecarboximidoate is 322.06 g/mol.
Where can I buy sec-butyl 2,4-dichloro-N-(3-pyridinyl)benzenecarboximidoate?
You can request a quote for sec-butyl 2,4-dichloro-N-(3-pyridinyl)benzenecarboximidoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for sec-butyl 2,4-dichloro-N-(3-pyridinyl)benzenecarboximidoate?
Yes, KEHONG BIO provides custom synthesis services for sec-butyl 2,4-dichloro-N-(3-pyridinyl)benzenecarboximidoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.