BAS 00288868
TL;DR: BAS 00288868 (CAS 330819-59-5) is a chemical compound with molecular formula C18H16N4O2S2 and molecular weight 384.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12,12-dimethyl-7-phenyl-3-sulfanylidene-13-oxa-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),5,10(15)-trien-8-one
Also Known As: BAS 00288868, AE-641/11150039, 7,7-dimethyl-4-phenyl-1-sulfanyl-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-mercapto-7,7-dimethyl-4-phenyl-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one, 12,12-DIMETHYL-7-PHENYL-3-SULFANYLIDENE-13-OXA-16-THIA-2,4,5,7-TETRAAZATETRACYCLO[7.7.0.0(2),?.0(1)?,(1)?]HEXADECA-1(9),5,10(15)-TRIEN-8-ONE
| Molecular Formula | C18H16N4O2S2 |
|---|---|
| Molecular Weight | 384.07 g/mol |
| LogP | 3.60879 |
| Topological Polar Surface Area | 64.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 384.07147 |
| Heavy Atoms | 26 |
| Complexity | 1277.9946 |
Chemical Identifiers
| CAS Number | 330819-59-5 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=C2C(=O)N(C4=NNC(=S)N34)C5=CC=CC=C5)C |
Product Overview
BAS 00288868 (CAS 330819-59-5), with molecular formula C18H16N4O2S2 and molecular weight 384.07 g/mol. IUPAC: 12,12-dimethyl-7-phenyl-3-sulfanylidene-13-oxa-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),5,10(15)-trien-8-one.
Chemical Property Profile of BAS 00288868
Property Insights of BAS 00288868
The XLogP value of 3.60879 indicates that BAS 00288868 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.32 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00288868. Following Lipinski's Rule of Five, BAS 00288868 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00288868?
The CAS number of BAS 00288868 is 330819-59-5.
What is the molecular formula of BAS 00288868?
The molecular formula of BAS 00288868 is C18H16N4O2S2.
What is the molecular weight of BAS 00288868?
The molecular weight of BAS 00288868 is 384.07 g/mol.
Where can I buy BAS 00288868?
You can request a quote for BAS 00288868 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00288868?
Yes, KEHONG BIO provides custom synthesis services for BAS 00288868 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.