10-Butyl-3,7-dinitrophenothiazine
TL;DR: 10-Butyl-3,7-dinitrophenothiazine (CAS 35076-83-6) is a chemical compound with molecular formula C16H15N3O4S and molecular weight 345.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-butyl-3,7-dinitrophenothiazine
Also Known As: 10-Butyl-3,7-dinitrophenothiazine, 10-Butyl-3,7-dinitro-10H-phenothiazine, 10H-Phenothiazine, 10-butyl-3,7-dinitro-, 10-Butyl-3,7-dinitro-10H-phenothiazine #
| Molecular Formula | C16H15N3O4S |
|---|---|
| Molecular Weight | 345.08 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 345.07834 |
| Heavy Atoms | 24 |
| Complexity | 443.0 |
Chemical Identifiers
| CAS Number | 35076-83-6 |
|---|---|
| SMILES | CCCCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC3=C1C=CC(=C3)[N+](=O)[O-] |
| InChIKey | ZIYOHPVJKRJRSA-UHFFFAOYSA-N |
Product Overview
10-Butyl-3,7-dinitrophenothiazine (CAS 35076-83-6), with molecular formula C16H15N3O4S and molecular weight 345.08 g/mol. IUPAC: 10-butyl-3,7-dinitrophenothiazine.
Chemical Property Profile of 10-Butyl-3,7-dinitrophenothiazine
Property Insights of 10-Butyl-3,7-dinitrophenothiazine
The XLogP value of 4.7 indicates that 10-Butyl-3,7-dinitrophenothiazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 10-Butyl-3,7-dinitrophenothiazine. Following Lipinski's Rule of Five, 10-Butyl-3,7-dinitrophenothiazine has 0 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 10-Butyl-3,7-dinitrophenothiazine?
The CAS number of 10-Butyl-3,7-dinitrophenothiazine is 35076-83-6.
What is the molecular formula of 10-Butyl-3,7-dinitrophenothiazine?
The molecular formula of 10-Butyl-3,7-dinitrophenothiazine is C16H15N3O4S.
What is the molecular weight of 10-Butyl-3,7-dinitrophenothiazine?
The molecular weight of 10-Butyl-3,7-dinitrophenothiazine is 345.08 g/mol.
Where can I buy 10-Butyl-3,7-dinitrophenothiazine?
You can request a quote for 10-Butyl-3,7-dinitrophenothiazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10-Butyl-3,7-dinitrophenothiazine?
Yes, KEHONG BIO provides custom synthesis services for 10-Butyl-3,7-dinitrophenothiazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.