4-(2-(Anilinocarbothioyl)carbohydrazonoyl)-2-methoxyphenyl 3-bromobenzoate
TL;DR: 4-(2-(Anilinocarbothioyl)carbohydrazonoyl)-2-methoxyphenyl 3-bromobenzoate (CAS 769149-30-6) is a chemical compound with molecular formula C22H18BrN3O3S and molecular weight 483.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-methoxy-4-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]phenyl] 3-bromobenzoate
Also Known As: 4-(2-(ANILINOCARBOTHIOYL)CARBOHYDRAZONOYL)-2-METHOXYPHENYL 3-BROMOBENZOATE, [2-methoxy-4-[(phenylthiocarbamoylhydrazinylidene)methyl]phenyl] 3-bromobenzoate, 643-497-5, RefChem:511961
| Molecular Formula | C22H18BrN3O3S |
|---|---|
| Molecular Weight | 483.03 g/mol |
| LogP | 4.9974 |
| Topological Polar Surface Area | 71.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 483.02524 |
| Heavy Atoms | 30 |
| Complexity | 1074.2328 |
Chemical Identifiers
| CAS Number | 769149-30-6 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=N/NC(=S)NC2=CC=CC=C2)OC(=O)C3=CC(=CC=C3)Br |
Product Overview
4-(2-(Anilinocarbothioyl)carbohydrazonoyl)-2-methoxyphenyl 3-bromobenzoate (CAS 769149-30-6), with molecular formula C22H18BrN3O3S and molecular weight 483.03 g/mol. IUPAC: [2-methoxy-4-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]phenyl] 3-bromobenzoate.
Chemical Property Profile of 4-(2-(Anilinocarbothioyl)carbohydrazonoyl)-2-methoxyphenyl 3-bromobenzoate
Property Insights of 4-(2-(Anilinocarbothioyl)carbohydrazonoyl)-2-methoxyphenyl 3-bromobenzoate
The XLogP value of 4.9974 indicates that 4-(2-(Anilinocarbothioyl)carbohydrazonoyl)-2-methoxyphenyl 3-bromobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-(Anilinocarbothioyl)carbohydrazonoyl)-2-methoxyphenyl 3-bromobenzoate. Following Lipinski's Rule of Five, 4-(2-(Anilinocarbothioyl)carbohydrazonoyl)-2-methoxyphenyl 3-bromobenzoate has 2 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 4-(2-(Anilinocarbothioyl)carbohydrazonoyl)-2-methoxyphenyl 3-bromobenzoate?
The CAS number of 4-(2-(Anilinocarbothioyl)carbohydrazonoyl)-2-methoxyphenyl 3-bromobenzoate is 769149-30-6.
What is the molecular formula of 4-(2-(Anilinocarbothioyl)carbohydrazonoyl)-2-methoxyphenyl 3-bromobenzoate?
The molecular formula of 4-(2-(Anilinocarbothioyl)carbohydrazonoyl)-2-methoxyphenyl 3-bromobenzoate is C22H18BrN3O3S.
What is the molecular weight of 4-(2-(Anilinocarbothioyl)carbohydrazonoyl)-2-methoxyphenyl 3-bromobenzoate?
The molecular weight of 4-(2-(Anilinocarbothioyl)carbohydrazonoyl)-2-methoxyphenyl 3-bromobenzoate is 483.03 g/mol.
Where can I buy 4-(2-(Anilinocarbothioyl)carbohydrazonoyl)-2-methoxyphenyl 3-bromobenzoate?
You can request a quote for 4-(2-(Anilinocarbothioyl)carbohydrazonoyl)-2-methoxyphenyl 3-bromobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-(Anilinocarbothioyl)carbohydrazonoyl)-2-methoxyphenyl 3-bromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-(Anilinocarbothioyl)carbohydrazonoyl)-2-methoxyphenyl 3-bromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.