BAS 00125815
TL;DR: BAS 00125815 (CAS 300804-19-7) is a chemical compound with molecular formula C13H12N4O4 and molecular weight 288.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(NE)-N-[1-hydroxy-2-(4-nitrophenyl)-6,7-dihydro-5H-benzimidazol-4-ylidene]hydroxylamine
Also Known As: BAS 00125815, AB00081419-01, (NE)-N-[1-hydroxy-2-(4-nitrophenyl)-6,7-dihydro-5H-benzimidazol-4-ylidene]hydroxylamine, 1-Hydroxy-2-(4-nitro-phenyl)-1,5,6,7-tetrahydro-benzoimidazol-4-one oxime, (4E)-4-(hydroxyimino)-2-(4-nitrophenyl)-4,5,6,7-tetrahydro-1H-benzimidazol-1-ol
| Molecular Formula | C13H12N4O4 |
|---|---|
| Molecular Weight | 288.09 g/mol |
| LogP | 2.2102 |
| Topological Polar Surface Area | 113.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 288.08585 |
| Heavy Atoms | 21 |
| Complexity | 733.3747 |
Chemical Identifiers
| CAS Number | 300804-19-7 |
|---|---|
| SMILES | C1CC2=C(/C(=N/O)/C1)N=C(N2O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
BAS 00125815 (CAS 300804-19-7), with molecular formula C13H12N4O4 and molecular weight 288.09 g/mol. IUPAC: (NE)-N-[1-hydroxy-2-(4-nitrophenyl)-6,7-dihydro-5H-benzimidazol-4-ylidene]hydroxylamine.
Chemical Property Profile of BAS 00125815
Property Insights of BAS 00125815
The XLogP value of 2.2102 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00125815. The TPSA of 113.78 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00125815. Following Lipinski's Rule of Five, BAS 00125815 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 00125815?
The CAS number of BAS 00125815 is 300804-19-7.
What is the molecular formula of BAS 00125815?
The molecular formula of BAS 00125815 is C13H12N4O4.
What is the molecular weight of BAS 00125815?
The molecular weight of BAS 00125815 is 288.09 g/mol.
Where can I buy BAS 00125815?
You can request a quote for BAS 00125815 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00125815?
Yes, KEHONG BIO provides custom synthesis services for BAS 00125815 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.