BAS 00332365
TL;DR: BAS 00332365 (CAS 330180-51-3) is a chemical compound with molecular formula C21H22N2OS2 and molecular weight 382.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyl-2-sulfanylidenespiro[1,5,6,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7,1'-cyclohexane]-4-one
Also Known As: BAS 00332365, 3-phenyl-2-sulfanylidenespiro[1,5,6,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7,1'-cyclohexane]-4-one, 3-phenyl-2-sulfanyl-3,5,6,8-tetrahydro-4H-spiro[1-benzothieno[2,3-d]pyrimidine-7,1'-cyclohexan]-4-one, 3-phenyl-2-thioxo-2,3,5,6-tetrahydro-1H-spiro[benzo[4,5]thieno[2,3-d]pyrimidine-7,1'-cyclohexan]-4(8H)-one
| Molecular Formula | C21H22N2OS2 |
|---|---|
| Molecular Weight | 382.12 g/mol |
| LogP | 5.54899 |
| Topological Polar Surface Area | 37.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 382.11737 |
| Heavy Atoms | 26 |
| Complexity | 1084.882 |
Chemical Identifiers
| CAS Number | 330180-51-3 |
|---|---|
| SMILES | C1CCC2(CC1)CCC3=C(C2)SC4=C3C(=O)N(C(=S)N4)C5=CC=CC=C5 |
Product Overview
BAS 00332365 (CAS 330180-51-3), with molecular formula C21H22N2OS2 and molecular weight 382.12 g/mol. IUPAC: 3-phenyl-2-sulfanylidenespiro[1,5,6,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7,1'-cyclohexane]-4-one.
Chemical Property Profile of BAS 00332365
Property Insights of BAS 00332365
The XLogP value of 5.54899 indicates that BAS 00332365 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.79 Ų, BAS 00332365 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00332365 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00332365?
The CAS number of BAS 00332365 is 330180-51-3.
What is the molecular formula of BAS 00332365?
The molecular formula of BAS 00332365 is C21H22N2OS2.
What is the molecular weight of BAS 00332365?
The molecular weight of BAS 00332365 is 382.12 g/mol.
Where can I buy BAS 00332365?
You can request a quote for BAS 00332365 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00332365?
Yes, KEHONG BIO provides custom synthesis services for BAS 00332365 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.