A2976/0125446
TL;DR: A2976/0125446 (CAS 522649-79-2) is a chemical compound with molecular formula C26H20FN3O6S and molecular weight 521.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[3-(1,3-benzodioxol-5-ylmethyl)-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid
Also Known As: A2976/0125446, 4-[({(2Z)-3-(1,3-benzodioxol-5-ylmethyl)-2-[(2-fluorophenyl)imino]-4-oxo-1,3-thiazinan-6-yl}carbonyl)amino]benzoic acid, (Z)-4-(3-(benzo[d][1,3]dioxol-5-ylmethyl)-2-((2-fluorophenyl)imino)-4-oxo-1,3-thiazinane-6-carboxamido)benzoic acid, 4-({3-(2H-benzo[3,4-d]1,3-dioxolen-5-ylmethyl)-2-[(2-fluorophenyl)azamethylene ]-4-oxo-1,3-thiazaperhydroin-6-yl}carbonylamino)benzoic acid, 4-[(2Z)-3-(2H-1,3-BENZODIOXOL-5-YLMETHYL)-2-[(2-FLUOROPHENYL)IMINO]-4-OXO-1,3-THIAZINANE-6-AMIDO]BENZOIC ACID
| Molecular Formula | C26H20FN3O6S |
|---|---|
| Molecular Weight | 521.11 g/mol |
| LogP | 4.4131 |
| Topological Polar Surface Area | 117.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 521.1057 |
| Heavy Atoms | 37 |
| Complexity | 1411.6759 |
Chemical Identifiers
| CAS Number | 522649-79-2 |
|---|---|
| SMILES | C1C(SC(=NC2=CC=CC=C2F)N(C1=O)CC3=CC4=C(C=C3)OCO4)C(=O)NC5=CC=C(C=C5)C(=O)O |
Product Overview
A2976/0125446 (CAS 522649-79-2), with molecular formula C26H20FN3O6S and molecular weight 521.11 g/mol. IUPAC: 4-[[3-(1,3-benzodioxol-5-ylmethyl)-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid.
Chemical Property Profile of A2976/0125446
Property Insights of A2976/0125446
The XLogP value of 4.4131 indicates that A2976/0125446 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.53 Ų falls within the moderate polarity range, balancing permeability and solubility for A2976/0125446. Following Lipinski's Rule of Five, A2976/0125446 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A2976/0125446?
The CAS number of A2976/0125446 is 522649-79-2.
What is the molecular formula of A2976/0125446?
The molecular formula of A2976/0125446 is C26H20FN3O6S.
What is the molecular weight of A2976/0125446?
The molecular weight of A2976/0125446 is 521.11 g/mol.
Where can I buy A2976/0125446?
You can request a quote for A2976/0125446 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2976/0125446?
Yes, KEHONG BIO provides custom synthesis services for A2976/0125446 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.