10H-Phenothiazine, 10-butyl-3,7-dinitro-, 5-oxide
TL;DR: 10H-Phenothiazine, 10-butyl-3,7-dinitro-, 5-oxide (CAS 35076-81-4) is a chemical compound with molecular formula C16H15N3O5S and molecular weight 361.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-butyl-3,7-dinitrophenothiazine 5-oxide
Also Known As: 10-butyl-3,7-dinitrophenothiazine 5-oxide, 10-Butyl-3,7-dinitro-10H-phenothiazine5-oxide, 10-Butyl-3,7-dinitro-10H-phenothiazine 5-oxide, 10H-Phenothiazine, 10-butyl-3,7-dinitro-, 5-oxide, 10-Butyl-3,7-dinitro-10H-phenothiazine 5-oxide #
| Molecular Formula | C16H15N3O5S |
|---|---|
| Molecular Weight | 361.07 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 142.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 361.07324 |
| Heavy Atoms | 25 |
| Complexity | 507.0 |
Chemical Identifiers
| CAS Number | 35076-81-4 |
|---|---|
| SMILES | CCCCN1C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)C3=C1C=CC(=C3)[N+](=O)[O-] |
| InChIKey | GFTNPKRTROQGEK-UHFFFAOYSA-N |
Product Overview
10H-Phenothiazine, 10-butyl-3,7-dinitro-, 5-oxide (CAS 35076-81-4), with molecular formula C16H15N3O5S and molecular weight 361.07 g/mol. IUPAC: 10-butyl-3,7-dinitrophenothiazine 5-oxide.
Chemical Property Profile of 10H-Phenothiazine, 10-butyl-3,7-dinitro-, 5-oxide
Property Insights of 10H-Phenothiazine, 10-butyl-3,7-dinitro-, 5-oxide
The XLogP value of 3.4 indicates that 10H-Phenothiazine, 10-butyl-3,7-dinitro-, 5-oxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.0 Ų indicates high polarity, suggesting 10H-Phenothiazine, 10-butyl-3,7-dinitro-, 5-oxide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 10H-Phenothiazine, 10-butyl-3,7-dinitro-, 5-oxide 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 10H-Phenothiazine, 10-butyl-3,7-dinitro-, 5-oxide?
The CAS number of 10H-Phenothiazine, 10-butyl-3,7-dinitro-, 5-oxide is 35076-81-4.
What is the molecular formula of 10H-Phenothiazine, 10-butyl-3,7-dinitro-, 5-oxide?
The molecular formula of 10H-Phenothiazine, 10-butyl-3,7-dinitro-, 5-oxide is C16H15N3O5S.
What is the molecular weight of 10H-Phenothiazine, 10-butyl-3,7-dinitro-, 5-oxide?
The molecular weight of 10H-Phenothiazine, 10-butyl-3,7-dinitro-, 5-oxide is 361.07 g/mol.
Where can I buy 10H-Phenothiazine, 10-butyl-3,7-dinitro-, 5-oxide?
You can request a quote for 10H-Phenothiazine, 10-butyl-3,7-dinitro-, 5-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10H-Phenothiazine, 10-butyl-3,7-dinitro-, 5-oxide?
Yes, KEHONG BIO provides custom synthesis services for 10H-Phenothiazine, 10-butyl-3,7-dinitro-, 5-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.