D 213
TL;DR: D 213 (CAS 66902-97-4) is a chemical compound with molecular formula C20H29N3O4S2 and molecular weight 439.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-methyl-(1-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-2-yl)azanium;methyl sulfate
Also Known As: D 213, Ammonium, diethylmethyl(1-methyl-2-(10H-pyrido(3,2-b)(1,4)benzothiazin-10-yl)ethyl)-, methyl sulfate, diethyl-methyl-(1-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-2-yl)azanium; methyl sulfate, 10H-Pyrido[3,2-b][1,4]benzothiazine-10-ethanaminium, N,N-diethyl-N,.alpha.-dimethyl-, methyl sulfate, N,N-Diethyl-N-methyl-1-(10H-pyrido[3,2-b][1,4]benzothiazin-10-yl)propan-2-aminium methyl sulfate
| Molecular Formula | C20H29N3O4S2 |
|---|---|
| Molecular Weight | 439.16 g/mol |
| LogP | 3.6522 |
| Topological Polar Surface Area | 82.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 439.15994 |
| Heavy Atoms | 29 |
| Complexity | 871.94727 |
Chemical Identifiers
| CAS Number | 66902-97-4 |
|---|---|
| SMILES | CC[N+](C)(CC)C(C)CN1C2=CC=CC=C2SC3=C1N=CC=C3.COS(=O)(=O)[O-] |
Product Overview
D 213 (CAS 66902-97-4), with molecular formula C20H29N3O4S2 and molecular weight 439.16 g/mol. IUPAC: diethyl-methyl-(1-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-2-yl)azanium;methyl sulfate.
Chemical Property Profile of D 213
Property Insights of D 213
The XLogP value of 3.6522 indicates that D 213 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.56 Ų falls within the moderate polarity range, balancing permeability and solubility for D 213. Following Lipinski's Rule of Five, D 213 has 0 hydrogen bond donor(s) and 7 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 D 213?
The CAS number of D 213 is 66902-97-4.
What is the molecular formula of D 213?
The molecular formula of D 213 is C20H29N3O4S2.
What is the molecular weight of D 213?
The molecular weight of D 213 is 439.16 g/mol.
Where can I buy D 213?
You can request a quote for D 213 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for D 213?
Yes, KEHONG BIO provides custom synthesis services for D 213 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.