BAS 00191895
TL;DR: BAS 00191895 (CAS 22431-02-3) is a chemical compound with molecular formula C12H12N2O4 and molecular weight 248.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3a,8b-dihydroxy-1,3-dimethylindeno[1,2-d]imidazole-2,4-dione
Also Known As: BAS 00191895, NCI60_012730, J1.694.682F, 3a,8a-Dihydroxy-1,3-dimethyl-1,3,3a,8a-tetrahydroindeno[1,2-d]imidazole-2,8-dione, 3a,8b-dihydroxy-1,3-dimethylindeno[1,2-d]imidazole-2,4-dione
| Molecular Formula | C12H12N2O4 |
|---|---|
| Molecular Weight | 248.08 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 81.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 248.07971 |
| Heavy Atoms | 18 |
| Complexity | 440.0 |
Chemical Identifiers
| CAS Number | 22431-02-3 |
|---|---|
| SMILES | CN1C(=O)N(C2(C1(C3=CC=CC=C3C2=O)O)O)C |
| InChIKey | OCRUWUQNJDFMRO-UHFFFAOYSA-N |
Product Overview
BAS 00191895 (CAS 22431-02-3), with molecular formula C12H12N2O4 and molecular weight 248.08 g/mol. IUPAC: 3a,8b-dihydroxy-1,3-dimethylindeno[1,2-d]imidazole-2,4-dione.
Chemical Property Profile of BAS 00191895
Property Insights of BAS 00191895
The XLogP value of -0.9 indicates that BAS 00191895 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 81.1 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00191895. Following Lipinski's Rule of Five, BAS 00191895 has 2 hydrogen bond donor(s) and 4 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 00191895?
The CAS number of BAS 00191895 is 22431-02-3.
What is the molecular formula of BAS 00191895?
The molecular formula of BAS 00191895 is C12H12N2O4.
What is the molecular weight of BAS 00191895?
The molecular weight of BAS 00191895 is 248.08 g/mol.
Where can I buy BAS 00191895?
You can request a quote for BAS 00191895 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00191895?
Yes, KEHONG BIO provides custom synthesis services for BAS 00191895 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.