BAS 01579933
TL;DR: BAS 01579933 (CAS 306294-12-2) is a chemical compound with molecular formula C25H22Cl2N2O2S2 and molecular weight 516.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3,4-dichlorophenyl)methylsulfanyl]-12,12-dimethyl-4-(4-methylphenyl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Also Known As: BAS 01579933, 2-((3,4-dichlorobenzyl)thio)-6,6-dimethyl-3-(p-tolyl)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one, 2-[(3,4-dichlorobenzyl)sulfanyl]-6,6-dimethyl-3-(4-methylphenyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C25H22Cl2N2O2S2 |
|---|---|
| Molecular Weight | 516.05 g/mol |
| LogP | 7.20602 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 516.05 |
| Heavy Atoms | 33 |
| Complexity | 1425.359 |
Chemical Identifiers
| CAS Number | 306294-12-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC4=CC(=C(C=C4)Cl)Cl)SC5=C3CC(OC5)(C)C |
Product Overview
BAS 01579933 (CAS 306294-12-2), with molecular formula C25H22Cl2N2O2S2 and molecular weight 516.05 g/mol. IUPAC: 5-[(3,4-dichlorophenyl)methylsulfanyl]-12,12-dimethyl-4-(4-methylphenyl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one.
Chemical Property Profile of BAS 01579933
Property Insights of BAS 01579933
The XLogP value of 7.20602 indicates that BAS 01579933 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.12 Ų, BAS 01579933 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01579933 has 0 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 01579933?
The CAS number of BAS 01579933 is 306294-12-2.
What is the molecular formula of BAS 01579933?
The molecular formula of BAS 01579933 is C25H22Cl2N2O2S2.
What is the molecular weight of BAS 01579933?
The molecular weight of BAS 01579933 is 516.05 g/mol.
Where can I buy BAS 01579933?
You can request a quote for BAS 01579933 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01579933?
Yes, KEHONG BIO provides custom synthesis services for BAS 01579933 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.