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12H-Benzo[a]phenothiazine, 12-acetyl-2-(chloroacetyl)-
TL;DR: 12H-Benzo[a]phenothiazine, 12-acetyl-2-(chloroacetyl)- (CAS 7731-97-7) is a chemical compound with molecular formula C20H14ClNO2S and molecular weight 367.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(12-acetylbenzo[a]phenothiazin-2-yl)-2-chloroethanone
Also Known As: 12H-Benzo[a]phenothiazine, 12-acetyl-2-(chloroacetyl)-, 1-(12-acetylbenzo[a]phenothiazin-2-yl)-2-chloroethanone, 1-(12-Acetyl-12H-benzo[a]phenothiazin-2-yl)-2-chloroethan-1-one
| Molecular Formula | C20H14ClNO2S |
|---|---|
| Molecular Weight | 367.04 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 62.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 367.04337 |
| Heavy Atoms | 25 |
| Complexity | 542.0 |
Chemical Identifiers
| CAS Number | 7731-97-7 |
|---|---|
| SMILES | CC(=O)N1C2=CC=CC=C2SC3=C1C4=C(C=CC(=C4)C(=O)CCl)C=C3 |
| InChIKey | UMTVLBHRIIZPNY-UHFFFAOYSA-N |
Product Overview
12H-Benzo[a]phenothiazine, 12-acetyl-2-(chloroacetyl)- (CAS 7731-97-7), with molecular formula C20H14ClNO2S and molecular weight 367.04 g/mol. IUPAC: 1-(12-acetylbenzo[a]phenothiazin-2-yl)-2-chloroethanone.
Chemical Property Profile of 12H-Benzo[a]phenothiazine, 12-acetyl-2-(chloroacetyl)-
Property Insights of 12H-Benzo[a]phenothiazine, 12-acetyl-2-(chloroacetyl)-
The XLogP value of 4.5 indicates that 12H-Benzo[a]phenothiazine, 12-acetyl-2-(chloroacetyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 12H-Benzo[a]phenothiazine, 12-acetyl-2-(chloroacetyl)-. Following Lipinski's Rule of Five, 12H-Benzo[a]phenothiazine, 12-acetyl-2-(chloroacetyl)- has 0 hydrogen bond donor(s) and 3 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 12H-Benzo[a]phenothiazine, 12-acetyl-2-(chloroacetyl)-?
The CAS number of 12H-Benzo[a]phenothiazine, 12-acetyl-2-(chloroacetyl)- is 7731-97-7.
What is the molecular formula of 12H-Benzo[a]phenothiazine, 12-acetyl-2-(chloroacetyl)-?
The molecular formula of 12H-Benzo[a]phenothiazine, 12-acetyl-2-(chloroacetyl)- is C20H14ClNO2S.
What is the molecular weight of 12H-Benzo[a]phenothiazine, 12-acetyl-2-(chloroacetyl)-?
The molecular weight of 12H-Benzo[a]phenothiazine, 12-acetyl-2-(chloroacetyl)- is 367.04 g/mol.
Where can I buy 12H-Benzo[a]phenothiazine, 12-acetyl-2-(chloroacetyl)-?
You can request a quote for 12H-Benzo[a]phenothiazine, 12-acetyl-2-(chloroacetyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12H-Benzo[a]phenothiazine, 12-acetyl-2-(chloroacetyl)-?
Yes, KEHONG BIO provides custom synthesis services for 12H-Benzo[a]phenothiazine, 12-acetyl-2-(chloroacetyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.