ChemDiv1_017770
TL;DR: ChemDiv1_017770 (CAS 330865-22-0) is a chemical compound with molecular formula C21H20N2O6S and molecular weight 428.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-ylmethyl)-2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carboxylic acid
Also Known As: ChemDiv1_017770, BAS 01269228, A2108/0088611, (Z)-3-(benzo[d][1,3]dioxol-5-ylmethyl)-2-((4-ethoxyphenyl)imino)-4-oxo-1,3-thiazinane-6-carboxylic acid, 3-(1,3-benzodioxol-5-ylmethyl)-2-[(4-ethoxyphenyl)imino]-4-oxo-1,3-thiazinane-6-carboxylic acid
| Molecular Formula | C21H20N2O6S |
|---|---|
| Molecular Weight | 428.10 g/mol |
| LogP | 3.4204 |
| Topological Polar Surface Area | 97.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 428.10422 |
| Heavy Atoms | 30 |
| Complexity | 991.49115 |
Chemical Identifiers
| CAS Number | 330865-22-0 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N=C2N(C(=O)CC(S2)C(=O)O)CC3=CC4=C(C=C3)OCO4 |
Product Overview
ChemDiv1_017770 (CAS 330865-22-0), with molecular formula C21H20N2O6S and molecular weight 428.10 g/mol. IUPAC: 3-(1,3-benzodioxol-5-ylmethyl)-2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carboxylic acid.
Chemical Property Profile of ChemDiv1_017770
Property Insights of ChemDiv1_017770
The XLogP value of 3.4204 indicates that ChemDiv1_017770 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.66 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_017770. Following Lipinski's Rule of Five, ChemDiv1_017770 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_017770?
The CAS number of ChemDiv1_017770 is 330865-22-0.
What is the molecular formula of ChemDiv1_017770?
The molecular formula of ChemDiv1_017770 is C21H20N2O6S.
What is the molecular weight of ChemDiv1_017770?
The molecular weight of ChemDiv1_017770 is 428.10 g/mol.
Where can I buy ChemDiv1_017770?
You can request a quote for ChemDiv1_017770 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_017770?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_017770 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.