dimethyl 5-methyl-2-(10H-phenothiazin-10-yl)isophthalate
TL;DR: dimethyl 5-methyl-2-(10H-phenothiazin-10-yl)isophthalate (CAS 66131-52-0) is a chemical compound with molecular formula C23H19NO4S and molecular weight 405.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-methyl-2-phenothiazin-10-ylbenzene-1,3-dicarboxylate
Also Known As: dimethyl 5-methyl-2-(10H-phenothiazin-10-yl)isophthalate, dimethyl 5-methyl-2-phenothiazin-10-ylbenzene-1,3-dicarboxylate
| Molecular Formula | C23H19NO4S |
|---|---|
| Molecular Weight | 405.10 g/mol |
| LogP | 5.50262 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 405.1035 |
| Heavy Atoms | 29 |
| Complexity | 1042.8607 |
Chemical Identifiers
| CAS Number | 66131-52-0 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C(=O)OC)N2C3=CC=CC=C3SC4=CC=CC=C42)C(=O)OC |
Product Overview
dimethyl 5-methyl-2-(10H-phenothiazin-10-yl)isophthalate (CAS 66131-52-0), with molecular formula C23H19NO4S and molecular weight 405.10 g/mol. IUPAC: dimethyl 5-methyl-2-phenothiazin-10-ylbenzene-1,3-dicarboxylate.
Chemical Property Profile of dimethyl 5-methyl-2-(10H-phenothiazin-10-yl)isophthalate
Property Insights of dimethyl 5-methyl-2-(10H-phenothiazin-10-yl)isophthalate
The XLogP value of 5.50262 indicates that dimethyl 5-methyl-2-(10H-phenothiazin-10-yl)isophthalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.84 Ų, dimethyl 5-methyl-2-(10H-phenothiazin-10-yl)isophthalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, dimethyl 5-methyl-2-(10H-phenothiazin-10-yl)isophthalate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of dimethyl 5-methyl-2-(10H-phenothiazin-10-yl)isophthalate?
The CAS number of dimethyl 5-methyl-2-(10H-phenothiazin-10-yl)isophthalate is 66131-52-0.
What is the molecular formula of dimethyl 5-methyl-2-(10H-phenothiazin-10-yl)isophthalate?
The molecular formula of dimethyl 5-methyl-2-(10H-phenothiazin-10-yl)isophthalate is C23H19NO4S.
What is the molecular weight of dimethyl 5-methyl-2-(10H-phenothiazin-10-yl)isophthalate?
The molecular weight of dimethyl 5-methyl-2-(10H-phenothiazin-10-yl)isophthalate is 405.10 g/mol.
Where can I buy dimethyl 5-methyl-2-(10H-phenothiazin-10-yl)isophthalate?
You can request a quote for dimethyl 5-methyl-2-(10H-phenothiazin-10-yl)isophthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl 5-methyl-2-(10H-phenothiazin-10-yl)isophthalate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 5-methyl-2-(10H-phenothiazin-10-yl)isophthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.