AJ-292/13607029
TL;DR: AJ-292/13607029 (CAS 299920-82-4) is a chemical compound with molecular formula C19H15ClN2O5S and molecular weight 418.04 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-chlorophenyl)imino-4-oxo-1,3-thiazinane-6-carboxylic acid
Also Known As: AJ-292/13607029, A2217/0093319, (2Z)-3-(1,3-benzodioxol-5-ylmethyl)-2-[(4-chlorophenyl)imino]-4-oxo-1,3-thiazinane-6-carboxylic acid, (2Z)-3-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-2-[(4-CHLOROPHENYL)IMINO]-4-OXO-1,3-THIAZINANE-6-CARBOXYLIC ACID, (E)-3-(benzo[d][1,3]dioxol-5-ylmethyl)-2-((4-chlorophenyl)imino)-4-oxo-1,3-thiazinane-6-carboxylic acid
| Molecular Formula | C19H15ClN2O5S |
|---|---|
| Molecular Weight | 418.04 g/mol |
| LogP | 3.6751 |
| Topological Polar Surface Area | 88.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 418.03903 |
| Heavy Atoms | 28 |
| Complexity | 963.2964 |
Chemical Identifiers
| CAS Number | 299920-82-4 |
|---|---|
| SMILES | C1C(SC(=NC2=CC=C(C=C2)Cl)N(C1=O)CC3=CC4=C(C=C3)OCO4)C(=O)O |
Product Overview
AJ-292/13607029 (CAS 299920-82-4), with molecular formula C19H15ClN2O5S and molecular weight 418.04 g/mol. IUPAC: 3-(1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)imino-4-oxo-1,3-thiazinane-6-carboxylic acid.
Chemical Property Profile of AJ-292/13607029
Property Insights of AJ-292/13607029
The XLogP value of 3.6751 indicates that AJ-292/13607029 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.43 Ų falls within the moderate polarity range, balancing permeability and solubility for AJ-292/13607029. Following Lipinski's Rule of Five, AJ-292/13607029 has 1 hydrogen bond donor(s) and 6 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 AJ-292/13607029?
The CAS number of AJ-292/13607029 is 299920-82-4.
What is the molecular formula of AJ-292/13607029?
The molecular formula of AJ-292/13607029 is C19H15ClN2O5S.
What is the molecular weight of AJ-292/13607029?
The molecular weight of AJ-292/13607029 is 418.04 g/mol.
Where can I buy AJ-292/13607029?
You can request a quote for AJ-292/13607029 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AJ-292/13607029?
Yes, KEHONG BIO provides custom synthesis services for AJ-292/13607029 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.