BAS 00288949
TL;DR: BAS 00288949 (CAS 330819-70-0) is a chemical compound with molecular formula C24H28N2O3S2 and molecular weight 456.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(benzoylcarbamothioylamino)spiro[5,7-dihydro-4H-1-benzothiophene-6,1'-cyclohexane]-3-carboxylate
Also Known As: BAS 00288949, ethyl 2-(benzoylcarbamothioylamino)spiro[5,7-dihydro-4H-1-benzothiophene-6,1'-cyclohexane]-3-carboxylate, ethyl 2-(3-benzoylthioureido)-5,7-dihydro-4H-spiro[benzo[b]thiophene-6,1'-cyclohexane]-3-carboxylate, ethyl 2-{[(phenylcarbonyl)carbamothioyl]amino}-4,7-dihydro-5H-spiro[1-benzothiophene-6,1'-cyclohexane]-3-carboxylate, ETHYL 2-{[(PHENYLFORMAMIDO)METHANETHIOYL]AMINO}-5,7-DIHYDRO-4H-SPIRO[1-BENZOTHIOPHENE-6,1'-CYCLOHEXANE]-3-CARBOXYLATE
| Molecular Formula | C24H28N2O3S2 |
|---|---|
| Molecular Weight | 456.15 g/mol |
| LogP | 5.4908 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 456.15414 |
| Heavy Atoms | 31 |
| Complexity | 978.2107 |
Chemical Identifiers
| CAS Number | 330819-70-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC3(C2)CCCCC3)NC(=S)NC(=O)C4=CC=CC=C4 |
Product Overview
BAS 00288949 (CAS 330819-70-0), with molecular formula C24H28N2O3S2 and molecular weight 456.15 g/mol. IUPAC: ethyl 2-(benzoylcarbamothioylamino)spiro[5,7-dihydro-4H-1-benzothiophene-6,1'-cyclohexane]-3-carboxylate.
Chemical Property Profile of BAS 00288949
Property Insights of BAS 00288949
The XLogP value of 5.4908 indicates that BAS 00288949 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 BAS 00288949. Following Lipinski's Rule of Five, BAS 00288949 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00288949?
The CAS number of BAS 00288949 is 330819-70-0.
What is the molecular formula of BAS 00288949?
The molecular formula of BAS 00288949 is C24H28N2O3S2.
What is the molecular weight of BAS 00288949?
The molecular weight of BAS 00288949 is 456.15 g/mol.
Where can I buy BAS 00288949?
You can request a quote for BAS 00288949 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00288949?
Yes, KEHONG BIO provides custom synthesis services for BAS 00288949 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.