A3240/0137606
TL;DR: A3240/0137606 (CAS 587849-58-9) is a chemical compound with molecular formula C27H22F3N3O4S and molecular weight 541.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[3-benzyl-4-oxo-2-[4-(trifluoromethyl)phenyl]imino-1,3-thiazinane-6-carbonyl]amino]benzoate
Also Known As: A3240/0137606, (Z)-methyl 4-(3-benzyl-4-oxo-2-((4-(trifluoromethyl)phenyl)imino)-1,3-thiazinane-6-carboxamido)benzoate, methyl 4-({[(2Z)-3-benzyl-4-oxo-2-{[4-(trifluoromethyl)phenyl]imino}-1,3-thiazinan-6-yl]carbonyl}amino)benzoate, methyl 4-[[3-benzyl-4-oxo-2-[4-(trifluoromethyl)phenyl]imino-1,3-thiazinane-6-carbonyl]amino]benzoate, METHYL 4-{[(3-BENZYL-4-OXO-2-{[4-(TRIFLUOROMETHYL)PHENYL]IMINO}-1,3-THIAZINAN-6-YL)CARBONYL]AMINO}BENZOATE
| Molecular Formula | C27H22F3N3O4S |
|---|---|
| Molecular Weight | 541.13 g/mol |
| LogP | 5.6525 |
| Topological Polar Surface Area | 88.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 541.1283 |
| Heavy Atoms | 38 |
| Complexity | 1344.7357 |
Chemical Identifiers
| CAS Number | 587849-58-9 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)C2CC(=O)N(C(=NC3=CC=C(C=C3)C(F)(F)F)S2)CC4=CC=CC=C4 |
Product Overview
A3240/0137606 (CAS 587849-58-9), with molecular formula C27H22F3N3O4S and molecular weight 541.13 g/mol. IUPAC: methyl 4-[[3-benzyl-4-oxo-2-[4-(trifluoromethyl)phenyl]imino-1,3-thiazinane-6-carbonyl]amino]benzoate.
Chemical Property Profile of A3240/0137606
Property Insights of A3240/0137606
The XLogP value of 5.6525 indicates that A3240/0137606 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 A3240/0137606. Following Lipinski's Rule of Five, A3240/0137606 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 A3240/0137606?
The CAS number of A3240/0137606 is 587849-58-9.
What is the molecular formula of A3240/0137606?
The molecular formula of A3240/0137606 is C27H22F3N3O4S.
What is the molecular weight of A3240/0137606?
The molecular weight of A3240/0137606 is 541.13 g/mol.
Where can I buy A3240/0137606?
You can request a quote for A3240/0137606 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3240/0137606?
Yes, KEHONG BIO provides custom synthesis services for A3240/0137606 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.