A2706/0115136
TL;DR: A2706/0115136 (CAS 442632-96-4) is a chemical compound with molecular formula C22H22ClF2N3O4S and molecular weight 497.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[chloro(difluoro)methoxy]phenyl]-2-(4-ethoxyphenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamide
Also Known As: A2706/0115136, N-[4-[chloro(difluoro)methoxy]phenyl]-2-(4-ethoxyphenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamide, N-{4-[chloro(difluoro)methoxy]phenyl}-2-[(4-ethoxyphenyl)imino]-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamide, (2Z)-N-[4-(CHLORODIFLUOROMETHOXY)PHENYL]-2-[(4-ETHOXYPHENYL)IMINO]-3-ETHYL-4-OXO-1,3-THIAZINANE-6-CARBOXAMIDE, (2Z)-N-{4-[chloro(difluoro)methoxy]phenyl}-2-[(4-ethoxyphenyl)imino]-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamide
| Molecular Formula | C22H22ClF2N3O4S |
|---|---|
| Molecular Weight | 497.10 g/mol |
| LogP | 5.2334 |
| Topological Polar Surface Area | 80.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 497.09875 |
| Heavy Atoms | 33 |
| Complexity | 1013.79614 |
Chemical Identifiers
| CAS Number | 442632-96-4 |
|---|---|
| SMILES | CCN1C(=O)CC(SC1=NC2=CC=C(C=C2)OCC)C(=O)NC3=CC=C(C=C3)OC(F)(F)Cl |
Product Overview
A2706/0115136 (CAS 442632-96-4), with molecular formula C22H22ClF2N3O4S and molecular weight 497.10 g/mol. IUPAC: N-[4-[chloro(difluoro)methoxy]phenyl]-2-(4-ethoxyphenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamide.
Chemical Property Profile of A2706/0115136
Property Insights of A2706/0115136
The XLogP value of 5.2334 indicates that A2706/0115136 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 A2706/0115136. Following Lipinski's Rule of Five, A2706/0115136 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 A2706/0115136?
The CAS number of A2706/0115136 is 442632-96-4.
What is the molecular formula of A2706/0115136?
The molecular formula of A2706/0115136 is C22H22ClF2N3O4S.
What is the molecular weight of A2706/0115136?
The molecular weight of A2706/0115136 is 497.10 g/mol.
Where can I buy A2706/0115136?
You can request a quote for A2706/0115136 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2706/0115136?
Yes, KEHONG BIO provides custom synthesis services for A2706/0115136 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.