BIM-0033688.P001
TL;DR: BIM-0033688.P001 (CAS 5788-16-9) is a chemical compound with molecular formula C18H18N4O6S and molecular weight 418.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-butoxy-N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]benzenesulfonamide
Also Known As: BIM-0033688.P001, 4-butoxy-N'-(5-nitro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)benzenesulfonohydrazide, 4-butoxy-N'-(5-nitro-2-oxoindol-3-yl)benzenesulfonohydrazide, 4-butoxy-N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]benzenesulfonamide, 4-Butoxy-N'-(5-nitro-2-oxo-2H-indol-3-yl)benzene-1-sulfonohydrazide
| Molecular Formula | C18H18N4O6S |
|---|---|
| Molecular Weight | 418.09 g/mol |
| LogP | 4.4332 |
| Topological Polar Surface Area | 147.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 418.0947 |
| Heavy Atoms | 29 |
| Complexity | 1169.0295 |
Chemical Identifiers
| CAS Number | 5788-16-9 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)S(=O)(=O)N=NC2=C(NC3=C2C=C(C=C3)[N+](=O)[O-])O |
Product Overview
BIM-0033688.P001 (CAS 5788-16-9), with molecular formula C18H18N4O6S and molecular weight 418.09 g/mol. IUPAC: 4-butoxy-N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]benzenesulfonamide.
Chemical Property Profile of BIM-0033688.P001
Property Insights of BIM-0033688.P001
The XLogP value of 4.4332 indicates that BIM-0033688.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 147.25 Ų indicates high polarity, suggesting BIM-0033688.P001 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BIM-0033688.P001 has 2 hydrogen bond donor(s) and 7 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 BIM-0033688.P001?
The CAS number of BIM-0033688.P001 is 5788-16-9.
What is the molecular formula of BIM-0033688.P001?
The molecular formula of BIM-0033688.P001 is C18H18N4O6S.
What is the molecular weight of BIM-0033688.P001?
The molecular weight of BIM-0033688.P001 is 418.09 g/mol.
Where can I buy BIM-0033688.P001?
You can request a quote for BIM-0033688.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0033688.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0033688.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.