BAS 01579917
TL;DR: BAS 01579917 (CAS 332393-10-9) is a chemical compound with molecular formula C21H21BrN2O2S2 and molecular weight 476.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-bromoprop-2-enylsulfanyl)-12,12-dimethyl-4-(4-methylphenyl)-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 01579917, AJ-292/13330168, 2-(2-bromoprop-2-enylsulfanyl)-6,6-dimethyl-3-(4-methylphenyl)-5,8-dihydropyrano[2,3]thieno[2,4-b]pyrimidin-4-one, 2-[(2-bromo-2-propenyl)sulfanyl]-6,6-dimethyl-3-(4-methylphenyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one, 5-(2-Bromoprop-2-enylsulfanyl)-12,12-dimethyl-4-(4-methylphenyl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
| Molecular Formula | C21H21BrN2O2S2 |
|---|---|
| Molecular Weight | 476.02 g/mol |
| LogP | 5.60762 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 476.02277 |
| Heavy Atoms | 28 |
| Complexity | 1129.9985 |
Chemical Identifiers
| CAS Number | 332393-10-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=C)Br)SC4=C3CC(OC4)(C)C |
Product Overview
BAS 01579917 (CAS 332393-10-9), with molecular formula C21H21BrN2O2S2 and molecular weight 476.02 g/mol. IUPAC: 5-(2-bromoprop-2-enylsulfanyl)-12,12-dimethyl-4-(4-methylphenyl)-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 01579917
Property Insights of BAS 01579917
The XLogP value of 5.60762 indicates that BAS 01579917 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.12 Ų, BAS 01579917 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01579917 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 01579917?
The CAS number of BAS 01579917 is 332393-10-9.
What is the molecular formula of BAS 01579917?
The molecular formula of BAS 01579917 is C21H21BrN2O2S2.
What is the molecular weight of BAS 01579917?
The molecular weight of BAS 01579917 is 476.02 g/mol.
Where can I buy BAS 01579917?
You can request a quote for BAS 01579917 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01579917?
Yes, KEHONG BIO provides custom synthesis services for BAS 01579917 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.