![METHYL 4-({[(1Z)-{[(BENZENESULFONYL)METHYL]IMINO}(4-METHYLPHENYL)METHYL]CARBAMOTHIOYL}AMINO)BENZOATE structure](/static/products/1732/173276-41-0.webp)
METHYL 4-({[(1Z)-{[(BENZENESULFONYL)METHYL]IMINO}(4-METHYLPHENYL)METHYL]CARBAMOTHIOYL}AMINO)BENZOATE
TL;DR: METHYL 4-({[(1Z)-{[(BENZENESULFONYL)METHYL]IMINO}(4-METHYLPHENYL)METHYL]CARBAMOTHIOYL}AMINO)BENZOATE (CAS 173276-41-0) is a chemical compound with molecular formula C24H23N3O4S2 and molecular weight 481.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[N-(benzenesulfonylmethyl)-C-(4-methylphenyl)carbonimidoyl]carbamothioylamino]benzoate
Also Known As: METHYL 4-({[(1Z)-{[(BENZENESULFONYL)METHYL]IMINO}(4-METHYLPHENYL)METHYL]CARBAMOTHIOYL}AMINO)BENZOATE, methyl 4-[[N-(benzenesulfonylmethyl)-C-(4-methylphenyl)carbonimidoyl]carbamothioylamino]benzoate, Methyl 4-[[N-(benzenesulfonylmethyl)-C-(4-methylphenyl)carbonimidoyl]thiocarbamoylamino]benzoate
| Molecular Formula | C24H23N3O4S2 |
|---|---|
| Molecular Weight | 481.11 g/mol |
| LogP | 3.94622 |
| Topological Polar Surface Area | 96.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 481.113 |
| Heavy Atoms | 33 |
| Complexity | 1255.3262 |
Chemical Identifiers
| CAS Number | 173276-41-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=NCS(=O)(=O)C2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)C(=O)OC |
Product Overview
METHYL 4-({[(1Z)-{[(BENZENESULFONYL)METHYL]IMINO}(4-METHYLPHENYL)METHYL]CARBAMOTHIOYL}AMINO)BENZOATE (CAS 173276-41-0), with molecular formula C24H23N3O4S2 and molecular weight 481.11 g/mol. IUPAC: methyl 4-[[N-(benzenesulfonylmethyl)-C-(4-methylphenyl)carbonimidoyl]carbamothioylamino]benzoate.
Chemical Property Profile of METHYL 4-({[(1Z)-{[(BENZENESULFONYL)METHYL]IMINO}(4-METHYLPHENYL)METHYL]CARBAMOTHIOYL}AMINO)BENZOATE
Property Insights of METHYL 4-({[(1Z)-{[(BENZENESULFONYL)METHYL]IMINO}(4-METHYLPHENYL)METHYL]CARBAMOTHIOYL}AMINO)BENZOATE
The XLogP value of 3.94622 indicates that METHYL 4-({[(1Z)-{[(BENZENESULFONYL)METHYL]IMINO}(4-METHYLPHENYL)METHYL]CARBAMOTHIOYL}AMINO)BENZOATE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.86 Ų falls within the moderate polarity range, balancing permeability and solubility for METHYL 4-({[(1Z)-{[(BENZENESULFONYL)METHYL]IMINO}(4-METHYLPHENYL)METHYL]CARBAMOTHIOYL}AMINO)BENZOATE. Following Lipinski's Rule of Five, METHYL 4-({[(1Z)-{[(BENZENESULFONYL)METHYL]IMINO}(4-METHYLPHENYL)METHYL]CARBAMOTHIOYL}AMINO)BENZOATE has 2 hydrogen bond donor(s) and 6 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 METHYL 4-({[(1Z)-{[(BENZENESULFONYL)METHYL]IMINO}(4-METHYLPHENYL)METHYL]CARBAMOTHIOYL}AMINO)BENZOATE?
The CAS number of METHYL 4-({[(1Z)-{[(BENZENESULFONYL)METHYL]IMINO}(4-METHYLPHENYL)METHYL]CARBAMOTHIOYL}AMINO)BENZOATE is 173276-41-0.
What is the molecular formula of METHYL 4-({[(1Z)-{[(BENZENESULFONYL)METHYL]IMINO}(4-METHYLPHENYL)METHYL]CARBAMOTHIOYL}AMINO)BENZOATE?
The molecular formula of METHYL 4-({[(1Z)-{[(BENZENESULFONYL)METHYL]IMINO}(4-METHYLPHENYL)METHYL]CARBAMOTHIOYL}AMINO)BENZOATE is C24H23N3O4S2.
What is the molecular weight of METHYL 4-({[(1Z)-{[(BENZENESULFONYL)METHYL]IMINO}(4-METHYLPHENYL)METHYL]CARBAMOTHIOYL}AMINO)BENZOATE?
The molecular weight of METHYL 4-({[(1Z)-{[(BENZENESULFONYL)METHYL]IMINO}(4-METHYLPHENYL)METHYL]CARBAMOTHIOYL}AMINO)BENZOATE is 481.11 g/mol.
Where can I buy METHYL 4-({[(1Z)-{[(BENZENESULFONYL)METHYL]IMINO}(4-METHYLPHENYL)METHYL]CARBAMOTHIOYL}AMINO)BENZOATE?
You can request a quote for METHYL 4-({[(1Z)-{[(BENZENESULFONYL)METHYL]IMINO}(4-METHYLPHENYL)METHYL]CARBAMOTHIOYL}AMINO)BENZOATE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for METHYL 4-({[(1Z)-{[(BENZENESULFONYL)METHYL]IMINO}(4-METHYLPHENYL)METHYL]CARBAMOTHIOYL}AMINO)BENZOATE?
Yes, KEHONG BIO provides custom synthesis services for METHYL 4-({[(1Z)-{[(BENZENESULFONYL)METHYL]IMINO}(4-METHYLPHENYL)METHYL]CARBAMOTHIOYL}AMINO)BENZOATE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.