AB00100585-01
TL;DR: AB00100585-01 (CAS 352657-80-8) is a chemical compound with molecular formula C21H20N4O2S2 and molecular weight 424.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(12-amino-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-10-yl)sulfanyl]butyl]isoindole-1,3-dione
Also Known As: AB00100585-01, AJ-292/13047074, 2-{4-[(4-amino-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]butyl}-1H-isoindole-1,3(2H)-dione, 2-(4-((4-amino-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)butyl)isoindoline-1,3-dione, 2-[4-[(1-amino-7,8-dihydro-6H-cyclopenta[4,5]thieno[1,2-c]pyrimidin-3-yl)sulfanyl]butyl]isoindole-1,3-dione
| Molecular Formula | C21H20N4O2S2 |
|---|---|
| Molecular Weight | 424.10 g/mol |
| LogP | 3.9307 |
| Topological Polar Surface Area | 89.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 424.10278 |
| Heavy Atoms | 29 |
| Complexity | 1106.1566 |
Chemical Identifiers
| CAS Number | 352657-80-8 |
|---|---|
| SMILES | C1CC2=C(C1)SC3=NC(=NC(=C23)N)SCCCCN4C(=O)C5=CC=CC=C5C4=O |
Product Overview
AB00100585-01 (CAS 352657-80-8), with molecular formula C21H20N4O2S2 and molecular weight 424.10 g/mol. IUPAC: 2-[4-[(12-amino-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-10-yl)sulfanyl]butyl]isoindole-1,3-dione.
Chemical Property Profile of AB00100585-01
Property Insights of AB00100585-01
The XLogP value of 3.9307 indicates that AB00100585-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.18 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00100585-01. Following Lipinski's Rule of Five, AB00100585-01 has 1 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 AB00100585-01?
The CAS number of AB00100585-01 is 352657-80-8.
What is the molecular formula of AB00100585-01?
The molecular formula of AB00100585-01 is C21H20N4O2S2.
What is the molecular weight of AB00100585-01?
The molecular weight of AB00100585-01 is 424.10 g/mol.
Where can I buy AB00100585-01?
You can request a quote for AB00100585-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00100585-01?
Yes, KEHONG BIO provides custom synthesis services for AB00100585-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.