BAS 01580017
TL;DR: BAS 01580017 (CAS 332393-33-6) is a chemical compound with molecular formula C26H21ClN4O2S2 and molecular weight 520.08 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-methylphenyl)-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 01580017, 1-((2-(4-chlorophenyl)-2-oxoethyl)thio)-4-(p-tolyl)-6,7,8,9-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one, 1-[2-(4-chlorophenyl)-2-oxoethylthio]-4-(4-methylphenyl)-4,6,7,8,9,11-hexahydr obenzo[b]thiopheno[3,2-e]1,2,4-triazolo[4,3-a]pyrimidin-5-one, 1-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-(4-methylphenyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
| Molecular Formula | C26H21ClN4O2S2 |
|---|---|
| Molecular Weight | 520.08 g/mol |
| LogP | 5.91052 |
| Topological Polar Surface Area | 69.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 520.07947 |
| Heavy Atoms | 35 |
| Complexity | 1650.0692 |
Chemical Identifiers
| CAS Number | 332393-33-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3=C(N4C2=NN=C4SCC(=O)C5=CC=C(C=C5)Cl)SC6=C3CCCC6 |
Product Overview
BAS 01580017 (CAS 332393-33-6), with molecular formula C26H21ClN4O2S2 and molecular weight 520.08 g/mol. IUPAC: 3-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-7-(4-methylphenyl)-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 01580017
Property Insights of BAS 01580017
The XLogP value of 5.91052 indicates that BAS 01580017 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.26 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01580017. Following Lipinski's Rule of Five, BAS 01580017 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 01580017?
The CAS number of BAS 01580017 is 332393-33-6.
What is the molecular formula of BAS 01580017?
The molecular formula of BAS 01580017 is C26H21ClN4O2S2.
What is the molecular weight of BAS 01580017?
The molecular weight of BAS 01580017 is 520.08 g/mol.
Where can I buy BAS 01580017?
You can request a quote for BAS 01580017 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01580017?
Yes, KEHONG BIO provides custom synthesis services for BAS 01580017 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.