A2972/0125219
TL;DR: A2972/0125219 (CAS 1164546-43-3) is a chemical compound with molecular formula C21H22N2O6S and molecular weight 430.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3,4-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carboxylic acid
Also Known As: A2972/0125219, (Z)-3-(3,4-dimethoxybenzyl)-2-((4-methoxyphenyl)imino)-4-oxo-1,3-thiazinane-6-carboxylic acid, 3-(3,4-dimethoxybenzyl)-2-[(4-methoxyphenyl)imino]-4-oxo-1,3-thiazinane-6-carboxylic acid, (2Z)-3-(3,4-dimethoxybenzyl)-2-[(4-methoxyphenyl)imino]-4-oxo-1,3-thiazinane-6-carboxylic acid, (2Z)-3-[(3,4-DIMETHOXYPHENYL)METHYL]-2-[(4-METHOXYPHENYL)IMINO]-4-OXO-1,3-THIAZINANE-6-CARBOXYLIC ACID
| Molecular Formula | C21H22N2O6S |
|---|---|
| Molecular Weight | 430.12 g/mol |
| LogP | 3.3188 |
| Topological Polar Surface Area | 97.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 430.11984 |
| Heavy Atoms | 30 |
| Complexity | 960.469 |
Chemical Identifiers
| CAS Number | 1164546-43-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N=C2N(C(=O)CC(S2)C(=O)O)CC3=CC(=C(C=C3)OC)OC |
Product Overview
A2972/0125219 (CAS 1164546-43-3), with molecular formula C21H22N2O6S and molecular weight 430.12 g/mol. IUPAC: 3-[(3,4-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carboxylic acid.
Chemical Property Profile of A2972/0125219
Property Insights of A2972/0125219
The XLogP value of 3.3188 indicates that A2972/0125219 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 A2972/0125219. Following Lipinski's Rule of Five, A2972/0125219 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 A2972/0125219?
The CAS number of A2972/0125219 is 1164546-43-3.
What is the molecular formula of A2972/0125219?
The molecular formula of A2972/0125219 is C21H22N2O6S.
What is the molecular weight of A2972/0125219?
The molecular weight of A2972/0125219 is 430.12 g/mol.
Where can I buy A2972/0125219?
You can request a quote for A2972/0125219 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2972/0125219?
Yes, KEHONG BIO provides custom synthesis services for A2972/0125219 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.