methyl 4-oxo-2,3,4,10-tetrahydro-1H-phenothiazine-7-carboxylate
TL;DR: methyl 4-oxo-2,3,4,10-tetrahydro-1H-phenothiazine-7-carboxylate (CAS 728028-83-9) is a chemical compound with molecular formula C14H13NO3S and molecular weight 275.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-oxo-7,8,9,10-tetrahydrophenothiazine-3-carboxylate
Also Known As: methyl 4-oxo-2,3,4,10-tetrahydro-1H-phenothiazine-7-carboxylate, methyl 6-oxo-7,8,9-trihydrophenothiazine-3-carboxylate, A3864/0164151, methyl 6-oxo-7,8,9,10-tetrahydrophenothiazine-3-carboxylate
| Molecular Formula | C14H13NO3S |
|---|---|
| Molecular Weight | 275.06 g/mol |
| LogP | 2.9554 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 275.0616 |
| Heavy Atoms | 19 |
| Complexity | 606.7087 |
Chemical Identifiers
| CAS Number | 728028-83-9 |
|---|---|
| SMILES | COC(=O)C1=CC2=C(C=C1)NC3=C(S2)C(=O)CCC3 |
Product Overview
methyl 4-oxo-2,3,4,10-tetrahydro-1H-phenothiazine-7-carboxylate (CAS 728028-83-9), with molecular formula C14H13NO3S and molecular weight 275.06 g/mol. IUPAC: methyl 6-oxo-7,8,9,10-tetrahydrophenothiazine-3-carboxylate.
Chemical Property Profile of methyl 4-oxo-2,3,4,10-tetrahydro-1H-phenothiazine-7-carboxylate
Property Insights of methyl 4-oxo-2,3,4,10-tetrahydro-1H-phenothiazine-7-carboxylate
The XLogP value of 2.9554 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-oxo-2,3,4,10-tetrahydro-1H-phenothiazine-7-carboxylate. With a topological polar surface area (TPSA) of 55.4 Ų, methyl 4-oxo-2,3,4,10-tetrahydro-1H-phenothiazine-7-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 4-oxo-2,3,4,10-tetrahydro-1H-phenothiazine-7-carboxylate has 1 hydrogen bond donor(s) and 5 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 methyl 4-oxo-2,3,4,10-tetrahydro-1H-phenothiazine-7-carboxylate?
The CAS number of methyl 4-oxo-2,3,4,10-tetrahydro-1H-phenothiazine-7-carboxylate is 728028-83-9.
What is the molecular formula of methyl 4-oxo-2,3,4,10-tetrahydro-1H-phenothiazine-7-carboxylate?
The molecular formula of methyl 4-oxo-2,3,4,10-tetrahydro-1H-phenothiazine-7-carboxylate is C14H13NO3S.
What is the molecular weight of methyl 4-oxo-2,3,4,10-tetrahydro-1H-phenothiazine-7-carboxylate?
The molecular weight of methyl 4-oxo-2,3,4,10-tetrahydro-1H-phenothiazine-7-carboxylate is 275.06 g/mol.
Where can I buy methyl 4-oxo-2,3,4,10-tetrahydro-1H-phenothiazine-7-carboxylate?
You can request a quote for methyl 4-oxo-2,3,4,10-tetrahydro-1H-phenothiazine-7-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-oxo-2,3,4,10-tetrahydro-1H-phenothiazine-7-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-oxo-2,3,4,10-tetrahydro-1H-phenothiazine-7-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.