A3507/0148555
TL;DR: A3507/0148555 (CAS 522650-12-0) is a chemical compound with molecular formula C27H23F2N3O4S and molecular weight 523.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[3-[2-(4-fluorophenyl)ethyl]-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate
Also Known As: A3507/0148555, (Z)-methyl 4-(3-(4-fluorophenethyl)-2-((2-fluorophenyl)imino)-4-oxo-1,3-thiazinane-6-carboxamido)benzoate, methyl 4-[({(2Z)-3-[2-(4-fluorophenyl)ethyl]-2-[(2-fluorophenyl)imino]-4-oxo-1,3-thiazinan-6-yl}carbonyl)amino]benzoate, METHYL 4-[({3-(4-FLUOROPHENETHYL)-2-[(2-FLUOROPHENYL)IMINO]-4-OXO-1,3-THIAZINAN-6-YL}CARBONYL)AMINO]BENZOATE, methyl 4-[[3-[2-(4-fluorophenyl)ethyl]-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate
| Molecular Formula | C27H23F2N3O4S |
|---|---|
| Molecular Weight | 523.14 g/mol |
| LogP | 4.9544 |
| Topological Polar Surface Area | 88.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 523.13776 |
| Heavy Atoms | 37 |
| Complexity | 1330.2377 |
Chemical Identifiers
| CAS Number | 522650-12-0 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)C2CC(=O)N(C(=NC3=CC=CC=C3F)S2)CCC4=CC=C(C=C4)F |
Product Overview
A3507/0148555 (CAS 522650-12-0), with molecular formula C27H23F2N3O4S and molecular weight 523.14 g/mol. IUPAC: methyl 4-[[3-[2-(4-fluorophenyl)ethyl]-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate.
Chemical Property Profile of A3507/0148555
Property Insights of A3507/0148555
The XLogP value of 4.9544 indicates that A3507/0148555 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.07 Ų falls within the moderate polarity range, balancing permeability and solubility for A3507/0148555. Following Lipinski's Rule of Five, A3507/0148555 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 A3507/0148555?
The CAS number of A3507/0148555 is 522650-12-0.
What is the molecular formula of A3507/0148555?
The molecular formula of A3507/0148555 is C27H23F2N3O4S.
What is the molecular weight of A3507/0148555?
The molecular weight of A3507/0148555 is 523.14 g/mol.
Where can I buy A3507/0148555?
You can request a quote for A3507/0148555 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3507/0148555?
Yes, KEHONG BIO provides custom synthesis services for A3507/0148555 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.