(Z)-methyl 4-(((((1-chlorobutylidene)amino)oxy)carbonyl)amino)benzoate
TL;DR: (Z)-methyl 4-(((((1-chlorobutylidene)amino)oxy)carbonyl)amino)benzoate (CAS 374086-00-7) is a chemical compound with molecular formula C13H15ClN2O4 and molecular weight 298.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[(Z)-1-chlorobutylideneamino]oxycarbonylamino]benzoate
Also Known As: Methyl 4-[(1-chlorobutylideneamino)oxycarbonylamino]benzoate, (Z)-methyl 4-(((((1-chlorobutylidene)amino)oxy)carbonyl)amino)benzoate
| Molecular Formula | C13H15ClN2O4 |
|---|---|
| Molecular Weight | 298.07 g/mol |
| LogP | 3.3741 |
| Topological Polar Surface Area | 76.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 298.07202 |
| Heavy Atoms | 20 |
| Complexity | 499.59753 |
Chemical Identifiers
| CAS Number | 374086-00-7 |
|---|---|
| SMILES | CCC/C(=N/OC(=O)NC1=CC=C(C=C1)C(=O)OC)/Cl |
Product Overview
(Z)-methyl 4-(((((1-chlorobutylidene)amino)oxy)carbonyl)amino)benzoate (CAS 374086-00-7), with molecular formula C13H15ClN2O4 and molecular weight 298.07 g/mol. IUPAC: methyl 4-[[(Z)-1-chlorobutylideneamino]oxycarbonylamino]benzoate.
Chemical Property Profile of (Z)-methyl 4-(((((1-chlorobutylidene)amino)oxy)carbonyl)amino)benzoate
Property Insights of (Z)-methyl 4-(((((1-chlorobutylidene)amino)oxy)carbonyl)amino)benzoate
The XLogP value of 3.3741 indicates that (Z)-methyl 4-(((((1-chlorobutylidene)amino)oxy)carbonyl)amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.99 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-methyl 4-(((((1-chlorobutylidene)amino)oxy)carbonyl)amino)benzoate. Following Lipinski's Rule of Five, (Z)-methyl 4-(((((1-chlorobutylidene)amino)oxy)carbonyl)amino)benzoate 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 (Z)-methyl 4-(((((1-chlorobutylidene)amino)oxy)carbonyl)amino)benzoate?
The CAS number of (Z)-methyl 4-(((((1-chlorobutylidene)amino)oxy)carbonyl)amino)benzoate is 374086-00-7.
What is the molecular formula of (Z)-methyl 4-(((((1-chlorobutylidene)amino)oxy)carbonyl)amino)benzoate?
The molecular formula of (Z)-methyl 4-(((((1-chlorobutylidene)amino)oxy)carbonyl)amino)benzoate is C13H15ClN2O4.
What is the molecular weight of (Z)-methyl 4-(((((1-chlorobutylidene)amino)oxy)carbonyl)amino)benzoate?
The molecular weight of (Z)-methyl 4-(((((1-chlorobutylidene)amino)oxy)carbonyl)amino)benzoate is 298.07 g/mol.
Where can I buy (Z)-methyl 4-(((((1-chlorobutylidene)amino)oxy)carbonyl)amino)benzoate?
You can request a quote for (Z)-methyl 4-(((((1-chlorobutylidene)amino)oxy)carbonyl)amino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-methyl 4-(((((1-chlorobutylidene)amino)oxy)carbonyl)amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-methyl 4-(((((1-chlorobutylidene)amino)oxy)carbonyl)amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.