BAS 01579985
TL;DR: BAS 01579985 (CAS 306294-20-2) is a chemical compound with molecular formula C23H26N4O2S2 and molecular weight 454.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butylsulfanyl-12,12-dimethyl-7-(4-methylphenyl)-13-oxa-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 01579985, 1-(butylsulfanyl)-7,7-dimethyl-4-(4-methylphenyl)-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one, 1-(butylthio)-7,7-dimethyl-4-(p-tolyl)-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one, 1-butylthio-7,7-dimethyl-4-(4-methylphenyl)-4,6,7,11-tetrahydro-9H-1,2,4-triaz olo[4'',3''-2',1']pyrimidino[5',6'-5,4]thiopheno[2,3-c]pyran-5-one
| Molecular Formula | C23H26N4O2S2 |
|---|---|
| Molecular Weight | 454.15 g/mol |
| LogP | 5.14682 |
| Topological Polar Surface Area | 61.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 454.14972 |
| Heavy Atoms | 31 |
| Complexity | 1332.1127 |
Chemical Identifiers
| CAS Number | 306294-20-2 |
|---|---|
| SMILES | CCCCSC1=NN=C2N1C3=C(C4=C(S3)COC(C4)(C)C)C(=O)N2C5=CC=C(C=C5)C |
Product Overview
BAS 01579985 (CAS 306294-20-2), with molecular formula C23H26N4O2S2 and molecular weight 454.15 g/mol. IUPAC: 3-butylsulfanyl-12,12-dimethyl-7-(4-methylphenyl)-13-oxa-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 01579985
Property Insights of BAS 01579985
The XLogP value of 5.14682 indicates that BAS 01579985 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.42 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01579985. Following Lipinski's Rule of Five, BAS 01579985 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 01579985?
The CAS number of BAS 01579985 is 306294-20-2.
What is the molecular formula of BAS 01579985?
The molecular formula of BAS 01579985 is C23H26N4O2S2.
What is the molecular weight of BAS 01579985?
The molecular weight of BAS 01579985 is 454.15 g/mol.
Where can I buy BAS 01579985?
You can request a quote for BAS 01579985 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01579985?
Yes, KEHONG BIO provides custom synthesis services for BAS 01579985 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.