BAS 01579982
TL;DR: BAS 01579982 (CAS 332393-22-3) is a chemical compound with molecular formula C26H21ClN4O3S2 and molecular weight 536.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-7-(4-methoxyphenyl)-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one
Also Known As: BAS 01579982, AJ-292/13328047, 1-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-(4-methoxyphenyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one, 1-((2-(4-chlorophenyl)-2-oxoethyl)thio)-4-(4-methoxyphenyl)-6,7,8,9-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one, 3-[2-(4-Chlorophenyl)-2-oxoethyl]sulfanyl-7-(4-methoxyphenyl)-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one
| Molecular Formula | C26H21ClN4O3S2 |
|---|---|
| Molecular Weight | 536.07 g/mol |
| LogP | 5.6107 |
| Topological Polar Surface Area | 78.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 536.07434 |
| Heavy Atoms | 36 |
| Complexity | 1670.7294 |
Chemical Identifiers
| CAS Number | 332393-22-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=O)C3=C(N4C2=NN=C4SCC(=O)C5=CC=C(C=C5)Cl)SC6=C3CCCC6 |
Product Overview
BAS 01579982 (CAS 332393-22-3), with molecular formula C26H21ClN4O3S2 and molecular weight 536.07 g/mol. IUPAC: 3-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-7-(4-methoxyphenyl)-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one.
Chemical Property Profile of BAS 01579982
Property Insights of BAS 01579982
The XLogP value of 5.6107 indicates that BAS 01579982 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.49 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01579982. Following Lipinski's Rule of Five, BAS 01579982 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 01579982?
The CAS number of BAS 01579982 is 332393-22-3.
What is the molecular formula of BAS 01579982?
The molecular formula of BAS 01579982 is C26H21ClN4O3S2.
What is the molecular weight of BAS 01579982?
The molecular weight of BAS 01579982 is 536.07 g/mol.
Where can I buy BAS 01579982?
You can request a quote for BAS 01579982 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01579982?
Yes, KEHONG BIO provides custom synthesis services for BAS 01579982 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.