BAS 02226309
TL;DR: BAS 02226309 (CAS 442873-26-9) is a chemical compound with molecular formula C20H18IN3O4S and molecular weight 523.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-ylimino)-3-ethyl-N-(4-iodophenyl)-4-oxo-1,3-thiazinane-6-carboxamide
Also Known As: BAS 02226309, 2-(1,3-benzodioxol-5-ylimino)-3-ethyl-N-(4-iodophenyl)-4-oxo-1,3-thiazinane-6-carboxamide, A2638/0112322, (2E)-2-(1,3-benzodioxol-5-ylimino)-3-ethyl-N-(4-iodophenyl)-4-oxo-1,3-thiazinane-6-carboxamide, (2E)-2-[(2H-1,3-BENZODIOXOL-5-YL)IMINO]-3-ETHYL-N-(4-IODOPHENYL)-4-OXO-1,3-THIAZINANE-6-CARBOXAMIDE
| Molecular Formula | C20H18IN3O4S |
|---|---|
| Molecular Weight | 523.01 g/mol |
| LogP | 4.0001 |
| Topological Polar Surface Area | 80.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 523.0063 |
| Heavy Atoms | 29 |
| Complexity | 980.19165 |
Chemical Identifiers
| CAS Number | 442873-26-9 |
|---|---|
| SMILES | CCN1C(=O)CC(SC1=NC2=CC3=C(C=C2)OCO3)C(=O)NC4=CC=C(C=C4)I |
Product Overview
BAS 02226309 (CAS 442873-26-9), with molecular formula C20H18IN3O4S and molecular weight 523.01 g/mol. IUPAC: 2-(1,3-benzodioxol-5-ylimino)-3-ethyl-N-(4-iodophenyl)-4-oxo-1,3-thiazinane-6-carboxamide.
Chemical Property Profile of BAS 02226309
Property Insights of BAS 02226309
The XLogP value of 4.0001 indicates that BAS 02226309 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.23 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02226309. Following Lipinski's Rule of Five, BAS 02226309 has 1 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 BAS 02226309?
The CAS number of BAS 02226309 is 442873-26-9.
What is the molecular formula of BAS 02226309?
The molecular formula of BAS 02226309 is C20H18IN3O4S.
What is the molecular weight of BAS 02226309?
The molecular weight of BAS 02226309 is 523.01 g/mol.
Where can I buy BAS 02226309?
You can request a quote for BAS 02226309 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02226309?
Yes, KEHONG BIO provides custom synthesis services for BAS 02226309 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.