BAS 10231016
TL;DR: BAS 10231016 (CAS 861639-22-7) is a chemical compound with molecular formula C20H22N4O2S2 and molecular weight 414.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5,5-dimethyl-6-oxa-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11,13,15-hexaen-15-yl)sulfanyl]-1-pyrrolidin-1-ylethanone
Also Known As: BAS 10231016, AO-022/43175950, 2-((8,8-dimethyl-8,10-dihydro-7H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)thio)-1-(pyrrolidin-1-yl)ethanone, 2-[(8,8-DIMETHYL-7,10-DIHYDRO-8H-PYRANO[3'',4'':5',6']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-4-YL)SULFANYL]-1-(1-PYRROLIDINYL)-1-ETHANONE, 2-[(8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)sulfanyl]-1-(pyrrolidin-1-yl)ethanone
| Molecular Formula | C20H22N4O2S2 |
|---|---|
| Molecular Weight | 414.12 g/mol |
| LogP | 3.8053 |
| Topological Polar Surface Area | 68.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 414.1184 |
| Heavy Atoms | 28 |
| Complexity | 1072.934 |
Chemical Identifiers
| CAS Number | 861639-22-7 |
|---|---|
| SMILES | CC1(CC2=NC3=C(C=C2CO1)C4=C(S3)C(=NC=N4)SCC(=O)N5CCCC5)C |
Product Overview
BAS 10231016 (CAS 861639-22-7), with molecular formula C20H22N4O2S2 and molecular weight 414.12 g/mol. IUPAC: 2-[(5,5-dimethyl-6-oxa-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11,13,15-hexaen-15-yl)sulfanyl]-1-pyrrolidin-1-ylethanone.
Chemical Property Profile of BAS 10231016
Property Insights of BAS 10231016
The XLogP value of 3.8053 indicates that BAS 10231016 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.21 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 10231016. Following Lipinski's Rule of Five, BAS 10231016 has 0 hydrogen bond donor(s) and 7 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 10231016?
The CAS number of BAS 10231016 is 861639-22-7.
What is the molecular formula of BAS 10231016?
The molecular formula of BAS 10231016 is C20H22N4O2S2.
What is the molecular weight of BAS 10231016?
The molecular weight of BAS 10231016 is 414.12 g/mol.
Where can I buy BAS 10231016?
You can request a quote for BAS 10231016 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 10231016?
Yes, KEHONG BIO provides custom synthesis services for BAS 10231016 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.