BAS 00296307
TL;DR: BAS 00296307 (CAS 5485-59-6) is a chemical compound with molecular formula C18H15N5O5S and molecular weight 413.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]iminomethyl]-4,6-dinitrophenol
Also Known As: BAS 00296307, 2-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]iminomethyl]-4,6-dinitrophenol, (6E)-6-({2-[(3,5-Dimethyl-1H-pyrazol-4-yl)sulfanyl]anilino}methylidene)-2,4-dinitrocyclohexa-2,4-dien-1-one, (6E)-6-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]anilino]methylidene]-2,4-dinitrocyclohexa-2,4-dien-1-one, 6-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]anilino]methylidene]-2,4-dinitrocyclohexa-2,4-dien-1-one
| Molecular Formula | C18H15N5O5S |
|---|---|
| Molecular Weight | 413.08 g/mol |
| LogP | 4.45034 |
| Topological Polar Surface Area | 147.55 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 413.07938 |
| Heavy Atoms | 29 |
| Complexity | 1122.1656 |
Chemical Identifiers
| CAS Number | 5485-59-6 |
|---|---|
| SMILES | CC1=C(C(=NN1)C)SC2=CC=CC=C2N=CC3=C(C(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])O |
Product Overview
BAS 00296307 (CAS 5485-59-6), with molecular formula C18H15N5O5S and molecular weight 413.08 g/mol. IUPAC: 2-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]iminomethyl]-4,6-dinitrophenol.
Chemical Property Profile of BAS 00296307
Property Insights of BAS 00296307
The XLogP value of 4.45034 indicates that BAS 00296307 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 147.55 Ų indicates high polarity, suggesting BAS 00296307 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 00296307 has 2 hydrogen bond donor(s) and 8 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 00296307?
The CAS number of BAS 00296307 is 5485-59-6.
What is the molecular formula of BAS 00296307?
The molecular formula of BAS 00296307 is C18H15N5O5S.
What is the molecular weight of BAS 00296307?
The molecular weight of BAS 00296307 is 413.08 g/mol.
Where can I buy BAS 00296307?
You can request a quote for BAS 00296307 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00296307?
Yes, KEHONG BIO provides custom synthesis services for BAS 00296307 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.