ChemDiv1_003126
TL;DR: ChemDiv1_003126 (CAS 430426-82-7) is a chemical compound with molecular formula C26H23N3O5S and molecular weight 489.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyphenyl)-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide
Also Known As: ChemDiv1_003126, (2Z)-3-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyphenyl)-4-oxo-2-(phenylimino)-1,3-thiazinane-6-carboxamide, (2Z)-3-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-N-(2-METHOXYPHENYL)-4-OXO-2-(PHENYLIMINO)-1,3-THIAZINANE-6-CARBOXAMIDE, (Z)-3-(benzo[d][1,3]dioxol-5-ylmethyl)-N-(2-methoxyphenyl)-4-oxo-2-(phenylimino)-1,3-thiazinane-6-carboxamide, 3-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyphenyl)-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide
| Molecular Formula | C26H23N3O5S |
|---|---|
| Molecular Weight | 489.14 g/mol |
| LogP | 4.5844 |
| Topological Polar Surface Area | 89.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 489.13583 |
| Heavy Atoms | 35 |
| Complexity | 1280.9886 |
Chemical Identifiers
| CAS Number | 430426-82-7 |
|---|---|
| SMILES | COC1=CC=CC=C1NC(=O)C2CC(=O)N(C(=NC3=CC=CC=C3)S2)CC4=CC5=C(C=C4)OCO5 |
Product Overview
ChemDiv1_003126 (CAS 430426-82-7), with molecular formula C26H23N3O5S and molecular weight 489.14 g/mol. IUPAC: 3-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyphenyl)-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide.
Chemical Property Profile of ChemDiv1_003126
Property Insights of ChemDiv1_003126
The XLogP value of 4.5844 indicates that ChemDiv1_003126 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.46 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_003126. Following Lipinski's Rule of Five, ChemDiv1_003126 has 1 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 ChemDiv1_003126?
The CAS number of ChemDiv1_003126 is 430426-82-7.
What is the molecular formula of ChemDiv1_003126?
The molecular formula of ChemDiv1_003126 is C26H23N3O5S.
What is the molecular weight of ChemDiv1_003126?
The molecular weight of ChemDiv1_003126 is 489.14 g/mol.
Where can I buy ChemDiv1_003126?
You can request a quote for ChemDiv1_003126 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003126?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003126 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.