A2976/0125445
TL;DR: A2976/0125445 (CAS 522649-78-1) is a chemical compound with molecular formula C27H24FN3O5S and molecular weight 521.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-(2-fluorophenyl)imino-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid
Also Known As: A2976/0125445, 4-[({(2Z)-2-[(2-fluorophenyl)imino]-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-1,3-thiazinan-6-yl}carbonyl)amino]benzoic acid, (Z)-4-(2-((2-fluorophenyl)imino)-3-(4-methoxyphenethyl)-4-oxo-1,3-thiazinane-6-carboxamido)benzoic acid, 4-[(2Z)-2-[(2-FLUOROPHENYL)IMINO]-3-[2-(4-METHOXYPHENYL)ETHYL]-4-OXO-1,3-THIAZINANE-6-AMIDO]BENZOIC ACID, 4-[[2-(2-fluorophenyl)imino-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid
| Molecular Formula | C27H24FN3O5S |
|---|---|
| Molecular Weight | 521.14 g/mol |
| LogP | 4.7355 |
| Topological Polar Surface Area | 108.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 521.1421 |
| Heavy Atoms | 37 |
| Complexity | 1328.628 |
Chemical Identifiers
| CAS Number | 522649-78-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CCN2C(=O)CC(SC2=NC3=CC=CC=C3F)C(=O)NC4=CC=C(C=C4)C(=O)O |
Product Overview
A2976/0125445 (CAS 522649-78-1), with molecular formula C27H24FN3O5S and molecular weight 521.14 g/mol. IUPAC: 4-[[2-(2-fluorophenyl)imino-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid.
Chemical Property Profile of A2976/0125445
Property Insights of A2976/0125445
The XLogP value of 4.7355 indicates that A2976/0125445 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 A2976/0125445. Following Lipinski's Rule of Five, A2976/0125445 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 A2976/0125445?
The CAS number of A2976/0125445 is 522649-78-1.
What is the molecular formula of A2976/0125445?
The molecular formula of A2976/0125445 is C27H24FN3O5S.
What is the molecular weight of A2976/0125445?
The molecular weight of A2976/0125445 is 521.14 g/mol.
Where can I buy A2976/0125445?
You can request a quote for A2976/0125445 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2976/0125445?
Yes, KEHONG BIO provides custom synthesis services for A2976/0125445 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.