![Methyl 4-[[2-(azepane-1-carbonyl)phenyl]carbamothioylamino]-4-oxobutanoate structure](/static/products/875/875206-63-6.png)
Methyl 4-[[2-(azepane-1-carbonyl)phenyl]carbamothioylamino]-4-oxobutanoate
TL;DR: Methyl 4-[[2-(azepane-1-carbonyl)phenyl]carbamothioylamino]-4-oxobutanoate (CAS 875206-63-6) is a chemical compound with molecular formula C19H25N3O4S and molecular weight 391.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-(azepane-1-carbonyl)phenyl]carbamothioylamino]-4-oxobutanoate
Also Known As: VU0508748-1, AB00689124-01, F3087-2852, METHYL 4-({[2-(AZEPANE-1-CARBONYL)PHENYL]CARBAMOTHIOYL}AMINO)-4-OXOBUTANOATE, methyl 4-(3-(2-(azepane-1-carbonyl)phenyl)thioureido)-4-oxobutanoate
| Molecular Formula | C19H25N3O4S |
|---|---|
| Molecular Weight | 391.16 g/mol |
| LogP | 2.469 |
| Topological Polar Surface Area | 87.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 391.1566 |
| Heavy Atoms | 27 |
| Complexity | 699.95013 |
Chemical Identifiers
| CAS Number | 875206-63-6 |
|---|---|
| SMILES | COC(=O)CCC(=O)NC(=S)NC1=CC=CC=C1C(=O)N2CCCCCC2 |
Product Overview
Methyl 4-[[2-(azepane-1-carbonyl)phenyl]carbamothioylamino]-4-oxobutanoate (CAS 875206-63-6), with molecular formula C19H25N3O4S and molecular weight 391.16 g/mol. IUPAC: methyl 4-[[2-(azepane-1-carbonyl)phenyl]carbamothioylamino]-4-oxobutanoate.
Chemical Property Profile of Methyl 4-[[2-(azepane-1-carbonyl)phenyl]carbamothioylamino]-4-oxobutanoate
Property Insights of Methyl 4-[[2-(azepane-1-carbonyl)phenyl]carbamothioylamino]-4-oxobutanoate
The XLogP value of 2.469 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-[[2-(azepane-1-carbonyl)phenyl]carbamothioylamino]-4-oxobutanoate. The TPSA of 87.74 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-[[2-(azepane-1-carbonyl)phenyl]carbamothioylamino]-4-oxobutanoate. Following Lipinski's Rule of Five, Methyl 4-[[2-(azepane-1-carbonyl)phenyl]carbamothioylamino]-4-oxobutanoate 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 Methyl 4-[[2-(azepane-1-carbonyl)phenyl]carbamothioylamino]-4-oxobutanoate?
The CAS number of Methyl 4-[[2-(azepane-1-carbonyl)phenyl]carbamothioylamino]-4-oxobutanoate is 875206-63-6.
What is the molecular formula of Methyl 4-[[2-(azepane-1-carbonyl)phenyl]carbamothioylamino]-4-oxobutanoate?
The molecular formula of Methyl 4-[[2-(azepane-1-carbonyl)phenyl]carbamothioylamino]-4-oxobutanoate is C19H25N3O4S.
What is the molecular weight of Methyl 4-[[2-(azepane-1-carbonyl)phenyl]carbamothioylamino]-4-oxobutanoate?
The molecular weight of Methyl 4-[[2-(azepane-1-carbonyl)phenyl]carbamothioylamino]-4-oxobutanoate is 391.16 g/mol.
Where can I buy Methyl 4-[[2-(azepane-1-carbonyl)phenyl]carbamothioylamino]-4-oxobutanoate?
You can request a quote for Methyl 4-[[2-(azepane-1-carbonyl)phenyl]carbamothioylamino]-4-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-[[2-(azepane-1-carbonyl)phenyl]carbamothioylamino]-4-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[[2-(azepane-1-carbonyl)phenyl]carbamothioylamino]-4-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.