AB00718034-01
TL;DR: AB00718034-01 (CAS 391652-18-9) is a chemical compound with molecular formula C19H21Cl2N3O3 and molecular weight 409.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate
Also Known As: AB00718034-01, ({4-[ethyl(propan-2-yl)amino]phenyl}carbamoyl)methyl 5,6-dichloropyridine-3-carboxylate, [2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate
| Molecular Formula | C19H21Cl2N3O3 |
|---|---|
| Molecular Weight | 409.10 g/mol |
| LogP | 4.4186 |
| Topological Polar Surface Area | 71.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 409.096 |
| Heavy Atoms | 27 |
| Complexity | 810.3472 |
Chemical Identifiers
| CAS Number | 391652-18-9 |
|---|---|
| SMILES | CCN(C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC(=C(N=C2)Cl)Cl)C(C)C |
Product Overview
AB00718034-01 (CAS 391652-18-9), with molecular formula C19H21Cl2N3O3 and molecular weight 409.10 g/mol. IUPAC: [2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate.
Chemical Property Profile of AB00718034-01
Property Insights of AB00718034-01
The XLogP value of 4.4186 indicates that AB00718034-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.53 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00718034-01. Following Lipinski's Rule of Five, AB00718034-01 has 1 hydrogen bond donor(s) and 5 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 AB00718034-01?
The CAS number of AB00718034-01 is 391652-18-9.
What is the molecular formula of AB00718034-01?
The molecular formula of AB00718034-01 is C19H21Cl2N3O3.
What is the molecular weight of AB00718034-01?
The molecular weight of AB00718034-01 is 409.10 g/mol.
Where can I buy AB00718034-01?
You can request a quote for AB00718034-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00718034-01?
Yes, KEHONG BIO provides custom synthesis services for AB00718034-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.