BAS 00318871
TL;DR: BAS 00318871 (CAS 330982-52-0) is a chemical compound with molecular formula C9H12N4O4 and molecular weight 240.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-amino-7-methyl-3,6-dioxido-5,8-dihydro-4H-pyrrolo[2,3-g][2,1,3]benzoxadiazole-3,6-diium-8a-ol
Also Known As: BAS 00318871, 7-amino-7-methyl-3,6-dioxido-5,8-dihydro-4H-pyrrolo[2,3-g][2,1,3]benzoxadiazole-3,6-diium-8a-ol, 7-Amino-7-methyl-4,5,7,8-tetrahydro-8aH-[1,2,5]oxadiazolo[3,4-e]indol-8a-ol 3,6-dioxide, 8aH-Pyrrolo[3,2-e]-2,1,3-benzoxadiazol-8a-ol,7-amino-4,5,7,8-tetrahydro-7-methyl-,3,6-dioxide(9CI)
| Molecular Formula | C9H12N4O4 |
|---|---|
| Molecular Weight | 240.09 g/mol |
| LogP | -1.5283 |
| Topological Polar Surface Area | 125.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 240.08586 |
| Heavy Atoms | 17 |
| Complexity | 535.0982 |
Chemical Identifiers
| CAS Number | 330982-52-0 |
|---|---|
| SMILES | CC1(CC2(C(=[N+]1[O-])CCC3=[N+](ON=C32)[O-])O)N |
Product Overview
BAS 00318871 (CAS 330982-52-0), with molecular formula C9H12N4O4 and molecular weight 240.09 g/mol. IUPAC: 7-amino-7-methyl-3,6-dioxido-5,8-dihydro-4H-pyrrolo[2,3-g][2,1,3]benzoxadiazole-3,6-diium-8a-ol.
Chemical Property Profile of BAS 00318871
Property Insights of BAS 00318871
The XLogP value of -1.5283 indicates that BAS 00318871 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 125.29 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00318871. Following Lipinski's Rule of Five, BAS 00318871 has 2 hydrogen bond donor(s) and 6 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 00318871?
The CAS number of BAS 00318871 is 330982-52-0.
What is the molecular formula of BAS 00318871?
The molecular formula of BAS 00318871 is C9H12N4O4.
What is the molecular weight of BAS 00318871?
The molecular weight of BAS 00318871 is 240.09 g/mol.
Where can I buy BAS 00318871?
You can request a quote for BAS 00318871 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00318871?
Yes, KEHONG BIO provides custom synthesis services for BAS 00318871 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.