A2637/0112298
TL;DR: A2637/0112298 (CAS 442873-18-9) is a chemical compound with molecular formula C26H20ClF2N3O5S and molecular weight 559.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[3-benzyl-2-[4-[chloro(difluoro)methoxy]phenyl]imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid
Also Known As: A2637/0112298, 4-({[(2Z)-3-benzyl-2-({4-[chloro(difluoro)methoxy]phenyl}imino)-4-oxo-1,3-thiazinan-6-yl]carbonyl}amino)benzoic acid, (Z)-4-(3-benzyl-2-((4-(chlorodifluoromethoxy)phenyl)imino)-4-oxo-1,3-thiazinane-6-carboxamido)benzoic acid, 4-[(2-{[4-(chlorodifluoromethoxy)phenyl]azamethylene}-4-oxo-3-benzyl-1,3-thiaz aperhydroin-6-yl)carbonylamino]benzoic acid, 4-[(2Z)-3-BENZYL-2-{[4-(CHLORODIFLUOROMETHOXY)PHENYL]IMINO}-4-OXO-1,3-THIAZINANE-6-AMIDO]BENZOIC ACID
| Molecular Formula | C26H20ClF2N3O5S |
|---|---|
| Molecular Weight | 559.08 g/mol |
| LogP | 5.7132 |
| Topological Polar Surface Area | 108.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 559.078 |
| Heavy Atoms | 38 |
| Complexity | 1350.0515 |
Chemical Identifiers
| CAS Number | 442873-18-9 |
|---|---|
| SMILES | C1C(SC(=NC2=CC=C(C=C2)OC(F)(F)Cl)N(C1=O)CC3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)C(=O)O |
Product Overview
A2637/0112298 (CAS 442873-18-9), with molecular formula C26H20ClF2N3O5S and molecular weight 559.08 g/mol. IUPAC: 4-[[3-benzyl-2-[4-[chloro(difluoro)methoxy]phenyl]imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid.
Chemical Property Profile of A2637/0112298
Property Insights of A2637/0112298
The XLogP value of 5.7132 indicates that A2637/0112298 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.3 Ų falls within the moderate polarity range, balancing permeability and solubility for A2637/0112298. Following Lipinski's Rule of Five, A2637/0112298 has 2 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 A2637/0112298?
The CAS number of A2637/0112298 is 442873-18-9.
What is the molecular formula of A2637/0112298?
The molecular formula of A2637/0112298 is C26H20ClF2N3O5S.
What is the molecular weight of A2637/0112298?
The molecular weight of A2637/0112298 is 559.08 g/mol.
Where can I buy A2637/0112298?
You can request a quote for A2637/0112298 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2637/0112298?
Yes, KEHONG BIO provides custom synthesis services for A2637/0112298 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.