BAS 04888317
TL;DR: BAS 04888317 (CAS 379244-76-5) is a chemical compound with molecular formula C22H26N4O2S2 and molecular weight 442.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
Also Known As: BAS 04888317, UPCMLD0ENAT0513-8427:001, AF-399/40684402, 2-methyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine, 2-methyl-4-{4-[(4-methylphenyl)sulfonyl]-1-piperazinyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
| Molecular Formula | C22H26N4O2S2 |
|---|---|
| Molecular Weight | 442.15 g/mol |
| LogP | 3.69784 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 442.14972 |
| Heavy Atoms | 30 |
| Complexity | 1194.0957 |
Chemical Identifiers
| CAS Number | 379244-76-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C4C5=C(CCCC5)SC4=NC(=N3)C |
Product Overview
BAS 04888317 (CAS 379244-76-5), with molecular formula C22H26N4O2S2 and molecular weight 442.15 g/mol. IUPAC: 2-methyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine.
Chemical Property Profile of BAS 04888317
Property Insights of BAS 04888317
The XLogP value of 3.69784 indicates that BAS 04888317 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04888317. Following Lipinski's Rule of Five, BAS 04888317 has 0 hydrogen bond donor(s) and 6 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 BAS 04888317?
The CAS number of BAS 04888317 is 379244-76-5.
What is the molecular formula of BAS 04888317?
The molecular formula of BAS 04888317 is C22H26N4O2S2.
What is the molecular weight of BAS 04888317?
The molecular weight of BAS 04888317 is 442.15 g/mol.
Where can I buy BAS 04888317?
You can request a quote for BAS 04888317 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04888317?
Yes, KEHONG BIO provides custom synthesis services for BAS 04888317 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.