A3507/0148556
TL;DR: A3507/0148556 (CAS 522649-97-4) is a chemical compound with molecular formula C27H24FN3O4S and molecular weight 505.15 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]-4-oxo-2-phenylimino-1,3-thiazinane-6-carbonyl]amino]benzoate
Also Known As: A3507/0148556, (Z)-methyl 4-(3-(4-fluorophenethyl)-4-oxo-2-(phenylimino)-1,3-thiazinane-6-carboxamido)benzoate, methyl 4-({[(2Z)-3-[2-(4-fluorophenyl)ethyl]-4-oxo-2-(phenylimino)-1,3-thiazinan-6-yl]carbonyl}amino)benzoate, METHYL 4-({[3-(4-FLUOROPHENETHYL)-4-OXO-2-(PHENYLIMINO)-1,3-THIAZINAN-6-YL]CARBONYL}AMINO)BENZOATE, methyl 4-[[3-[2-(4-fluorophenyl)ethyl]-4-oxo-2-phenylimino-1,3-thiazinane-6-carbonyl]amino]benzoate
| Molecular Formula | C27H24FN3O4S |
|---|---|
| Molecular Weight | 505.15 g/mol |
| LogP | 4.8153 |
| Topological Polar Surface Area | 88.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 505.14716 |
| Heavy Atoms | 36 |
| Complexity | 1264.4409 |
Chemical Identifiers
| CAS Number | 522649-97-4 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)C2CC(=O)N(C(=NC3=CC=CC=C3)S2)CCC4=CC=C(C=C4)F |
Product Overview
A3507/0148556 (CAS 522649-97-4), with molecular formula C27H24FN3O4S and molecular weight 505.15 g/mol. IUPAC: methyl 4-[[3-[2-(4-fluorophenyl)ethyl]-4-oxo-2-phenylimino-1,3-thiazinane-6-carbonyl]amino]benzoate.
Chemical Property Profile of A3507/0148556
Property Insights of A3507/0148556
The XLogP value of 4.8153 indicates that A3507/0148556 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 A3507/0148556. Following Lipinski's Rule of Five, A3507/0148556 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 A3507/0148556?
The CAS number of A3507/0148556 is 522649-97-4.
What is the molecular formula of A3507/0148556?
The molecular formula of A3507/0148556 is C27H24FN3O4S.
What is the molecular weight of A3507/0148556?
The molecular weight of A3507/0148556 is 505.15 g/mol.
Where can I buy A3507/0148556?
You can request a quote for A3507/0148556 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3507/0148556?
Yes, KEHONG BIO provides custom synthesis services for A3507/0148556 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.