A1906/0080090
TL;DR: A1906/0080090 (CAS 312502-63-9) is a chemical compound with molecular formula C30H18N2O3S2 and molecular weight 518.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]isoindole-1,3-dione
Also Known As: A1906/0080090, 2-(2-((2-(9H-fluoren-2-yl)-2-oxoethyl)thio)benzo[d]thiazol-6-yl)isoindoline-1,3-dione, 2-[2-(2-fluoren-2-yl-2-oxoethylthio)benzothiazol-6-yl]benzo[c]azolidine-1,3-di one, 2-[2-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]isoindole-1,3-dione, 2-(2-{[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-1H-isoindole-1,3(2H)-dione
| Molecular Formula | C30H18N2O3S2 |
|---|---|
| Molecular Weight | 518.08 g/mol |
| LogP | 6.6431 |
| Topological Polar Surface Area | 67.34 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 518.07587 |
| Heavy Atoms | 37 |
| Complexity | 1754.2454 |
Chemical Identifiers
| CAS Number | 312502-63-9 |
|---|---|
| SMILES | C1C2=CC=CC=C2C3=C1C=C(C=C3)C(=O)CSC4=NC5=C(S4)C=C(C=C5)N6C(=O)C7=CC=CC=C7C6=O |
Product Overview
A1906/0080090 (CAS 312502-63-9), with molecular formula C30H18N2O3S2 and molecular weight 518.08 g/mol. IUPAC: 2-[2-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]isoindole-1,3-dione.
Chemical Property Profile of A1906/0080090
Property Insights of A1906/0080090
The XLogP value of 6.6431 indicates that A1906/0080090 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.34 Ų falls within the moderate polarity range, balancing permeability and solubility for A1906/0080090. Following Lipinski's Rule of Five, A1906/0080090 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A1906/0080090?
The CAS number of A1906/0080090 is 312502-63-9.
What is the molecular formula of A1906/0080090?
The molecular formula of A1906/0080090 is C30H18N2O3S2.
What is the molecular weight of A1906/0080090?
The molecular weight of A1906/0080090 is 518.08 g/mol.
Where can I buy A1906/0080090?
You can request a quote for A1906/0080090 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1906/0080090?
Yes, KEHONG BIO provides custom synthesis services for A1906/0080090 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.