AB00983950-01
TL;DR: AB00983950-01 (CAS 924121-98-2) is a chemical compound with molecular formula C16H22N4S and molecular weight 302.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methylpiperazin-1-yl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraene
Also Known As: AB00983950-01, AO-476/42238331, 4-(4-methylpiperazin-1-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[1,2-c]pyrimidine, 3-(4-methylpiperazin-1-yl)-8-thia-4,6-diazatricyclo[7.5.0.0^{2,7}]tetradeca-1(9),2,4,6-tetraene, 3-(4-methylpiperazin-1-yl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraene
| Molecular Formula | C16H22N4S |
|---|---|
| Molecular Weight | 302.16 g/mol |
| LogP | 2.712 |
| Topological Polar Surface Area | 32.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 302.15652 |
| Heavy Atoms | 21 |
| Complexity | 643.0095 |
Chemical Identifiers
| CAS Number | 924121-98-2 |
|---|---|
| SMILES | CN1CCN(CC1)C2=C3C4=C(CCCCC4)SC3=NC=N2 |
Product Overview
AB00983950-01 (CAS 924121-98-2), with molecular formula C16H22N4S and molecular weight 302.16 g/mol. IUPAC: 3-(4-methylpiperazin-1-yl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraene.
Chemical Property Profile of AB00983950-01
Property Insights of AB00983950-01
The XLogP value of 2.712 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00983950-01. With a topological polar surface area (TPSA) of 32.26 Ų, AB00983950-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00983950-01 has 0 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 AB00983950-01?
The CAS number of AB00983950-01 is 924121-98-2.
What is the molecular formula of AB00983950-01?
The molecular formula of AB00983950-01 is C16H22N4S.
What is the molecular weight of AB00983950-01?
The molecular weight of AB00983950-01 is 302.16 g/mol.
Where can I buy AB00983950-01?
You can request a quote for AB00983950-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00983950-01?
Yes, KEHONG BIO provides custom synthesis services for AB00983950-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.