![ethyl 1-(benzoylcarbamothioylamino)-7-methylspiro[4H-naphthalene-3,1'-cyclohexane]-2-carboxylate structure](/static/products/385/385389-48-0.png)
ethyl 1-(benzoylcarbamothioylamino)-7-methylspiro[4H-naphthalene-3,1'-cyclohexane]-2-carboxylate
TL;DR: ethyl 1-(benzoylcarbamothioylamino)-7-methylspiro[4H-naphthalene-3,1'-cyclohexane]-2-carboxylate (CAS 385389-48-0) is a chemical compound with molecular formula C27H30N2O3S and molecular weight 462.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-(benzoylcarbamothioylamino)-7-methylspiro[4H-naphthalene-3,1'-cyclohexane]-2-carboxylate
Also Known As: ethyl 1-(benzoylcarbamothioylamino)-7-methylspiro[4H-naphthalene-3,1'-cyclohexane]-2-carboxylate, Ethyl 1-(benzoylthiocarbamoylamino)-7-methyl-spiro[4H-naphthalene-3,1'-cyclohexane]-2-carboxylate, ethyl 4'-(3-benzoylthioureido)-6'-methyl-1'H-spiro[cyclohexane-1,2'-naphthalene]-3'-carboxylate, ethyl 6'-methyl-4'-{[(phenylcarbonyl)carbamothioyl]amino}-1'H-spiro[cyclohexane-1,2'-naphthalene]-3'-carboxylate
| Molecular Formula | C27H30N2O3S |
|---|---|
| Molecular Weight | 462.20 g/mol |
| LogP | 5.08032 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 462.19772 |
| Heavy Atoms | 33 |
| Complexity | 1101.6045 |
Chemical Identifiers
| CAS Number | 385389-48-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(CC13CCCCC3)C=CC(=C2)C)NC(=S)NC(=O)C4=CC=CC=C4 |
Product Overview
ethyl 1-(benzoylcarbamothioylamino)-7-methylspiro[4H-naphthalene-3,1'-cyclohexane]-2-carboxylate (CAS 385389-48-0), with molecular formula C27H30N2O3S and molecular weight 462.20 g/mol. IUPAC: ethyl 1-(benzoylcarbamothioylamino)-7-methylspiro[4H-naphthalene-3,1'-cyclohexane]-2-carboxylate.
Chemical Property Profile of ethyl 1-(benzoylcarbamothioylamino)-7-methylspiro[4H-naphthalene-3,1'-cyclohexane]-2-carboxylate
Property Insights of ethyl 1-(benzoylcarbamothioylamino)-7-methylspiro[4H-naphthalene-3,1'-cyclohexane]-2-carboxylate
The XLogP value of 5.08032 indicates that ethyl 1-(benzoylcarbamothioylamino)-7-methylspiro[4H-naphthalene-3,1'-cyclohexane]-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 1-(benzoylcarbamothioylamino)-7-methylspiro[4H-naphthalene-3,1'-cyclohexane]-2-carboxylate. Following Lipinski's Rule of Five, ethyl 1-(benzoylcarbamothioylamino)-7-methylspiro[4H-naphthalene-3,1'-cyclohexane]-2-carboxylate has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 1-(benzoylcarbamothioylamino)-7-methylspiro[4H-naphthalene-3,1'-cyclohexane]-2-carboxylate?
The CAS number of ethyl 1-(benzoylcarbamothioylamino)-7-methylspiro[4H-naphthalene-3,1'-cyclohexane]-2-carboxylate is 385389-48-0.
What is the molecular formula of ethyl 1-(benzoylcarbamothioylamino)-7-methylspiro[4H-naphthalene-3,1'-cyclohexane]-2-carboxylate?
The molecular formula of ethyl 1-(benzoylcarbamothioylamino)-7-methylspiro[4H-naphthalene-3,1'-cyclohexane]-2-carboxylate is C27H30N2O3S.
What is the molecular weight of ethyl 1-(benzoylcarbamothioylamino)-7-methylspiro[4H-naphthalene-3,1'-cyclohexane]-2-carboxylate?
The molecular weight of ethyl 1-(benzoylcarbamothioylamino)-7-methylspiro[4H-naphthalene-3,1'-cyclohexane]-2-carboxylate is 462.20 g/mol.
Where can I buy ethyl 1-(benzoylcarbamothioylamino)-7-methylspiro[4H-naphthalene-3,1'-cyclohexane]-2-carboxylate?
You can request a quote for ethyl 1-(benzoylcarbamothioylamino)-7-methylspiro[4H-naphthalene-3,1'-cyclohexane]-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 1-(benzoylcarbamothioylamino)-7-methylspiro[4H-naphthalene-3,1'-cyclohexane]-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 1-(benzoylcarbamothioylamino)-7-methylspiro[4H-naphthalene-3,1'-cyclohexane]-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.