BAS 01579881
TL;DR: BAS 01579881 (CAS 332393-02-9) is a chemical compound with molecular formula C31H28N2O3S2 and molecular weight 540.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzhydrylsulfanyl-4-(4-methoxyphenyl)-12,12-dimethyl-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 01579881, AJ-292/13330278, 2-(benzhydrylsulfanyl)-3-(4-methoxyphenyl)-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one, 2-benzhydrylsulfanyl-3-(4-methoxyphenyl)-6,6-dimethyl-5,8-dihydropyrano[2,3]thieno[2,4-b]pyrimidin-4-one, 5-Benzhydrylsulfanyl-4-(4-methoxyphenyl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
| Molecular Formula | C31H28N2O3S2 |
|---|---|
| Molecular Weight | 540.15 g/mol |
| LogP | 7.1888 |
| Topological Polar Surface Area | 53.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 540.1541 |
| Heavy Atoms | 38 |
| Complexity | 1603.1941 |
Chemical Identifiers
| CAS Number | 332393-02-9 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=C2C(=O)N(C(=N3)SC(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=C(C=C6)OC)C |
Product Overview
BAS 01579881 (CAS 332393-02-9), with molecular formula C31H28N2O3S2 and molecular weight 540.15 g/mol. IUPAC: 5-benzhydrylsulfanyl-4-(4-methoxyphenyl)-12,12-dimethyl-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 01579881
Property Insights of BAS 01579881
The XLogP value of 7.1888 indicates that BAS 01579881 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.35 Ų, BAS 01579881 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01579881 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 01579881?
The CAS number of BAS 01579881 is 332393-02-9.
What is the molecular formula of BAS 01579881?
The molecular formula of BAS 01579881 is C31H28N2O3S2.
What is the molecular weight of BAS 01579881?
The molecular weight of BAS 01579881 is 540.15 g/mol.
Where can I buy BAS 01579881?
You can request a quote for BAS 01579881 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01579881?
Yes, KEHONG BIO provides custom synthesis services for BAS 01579881 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.