(Z)-methyl 4-(2-((4-fluorophenyl)imino)-3-(4-methoxybenzyl)-4-oxo-1,3-thiazinane-6-carboxamido)benzoate
TL;DR: (Z)-methyl 4-(2-((4-fluorophenyl)imino)-3-(4-methoxybenzyl)-4-oxo-1,3-thiazinane-6-carboxamido)benzoate (CAS 385417-70-9) 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.
methyl 4-[[2-(4-fluorophenyl)imino-3-[(4-methoxyphenyl)methyl]-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate
Also Known As: (Z)-methyl 4-(2-((4-fluorophenyl)imino)-3-(4-methoxybenzyl)-4-oxo-1,3-thiazinane-6-carboxamido)benzoate, methyl 4-({[(2Z)-2-[(4-fluorophenyl)imino]-3-(4-methoxybenzyl)-4-oxo-1,3-thiazinan-6-yl]carbonyl}amino)benzoate, methyl 4-[[2-(4-fluorophenyl)imino-3-[(4-methoxyphenyl)methyl]-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate
| Molecular Formula | C27H24FN3O5S |
|---|---|
| Molecular Weight | 521.14 g/mol |
| LogP | 4.7814 |
| Topological Polar Surface Area | 97.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 521.1421 |
| Heavy Atoms | 37 |
| Complexity | 1311.378 |
Chemical Identifiers
| CAS Number | 385417-70-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CN2C(=O)CC(SC2=NC3=CC=C(C=C3)F)C(=O)NC4=CC=C(C=C4)C(=O)OC |
Product Overview
(Z)-methyl 4-(2-((4-fluorophenyl)imino)-3-(4-methoxybenzyl)-4-oxo-1,3-thiazinane-6-carboxamido)benzoate (CAS 385417-70-9), with molecular formula C27H24FN3O5S and molecular weight 521.14 g/mol. IUPAC: methyl 4-[[2-(4-fluorophenyl)imino-3-[(4-methoxyphenyl)methyl]-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate.
Chemical Property Profile of (Z)-methyl 4-(2-((4-fluorophenyl)imino)-3-(4-methoxybenzyl)-4-oxo-1,3-thiazinane-6-carboxamido)benzoate
Property Insights of (Z)-methyl 4-(2-((4-fluorophenyl)imino)-3-(4-methoxybenzyl)-4-oxo-1,3-thiazinane-6-carboxamido)benzoate
The XLogP value of 4.7814 indicates that (Z)-methyl 4-(2-((4-fluorophenyl)imino)-3-(4-methoxybenzyl)-4-oxo-1,3-thiazinane-6-carboxamido)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-methyl 4-(2-((4-fluorophenyl)imino)-3-(4-methoxybenzyl)-4-oxo-1,3-thiazinane-6-carboxamido)benzoate. Following Lipinski's Rule of Five, (Z)-methyl 4-(2-((4-fluorophenyl)imino)-3-(4-methoxybenzyl)-4-oxo-1,3-thiazinane-6-carboxamido)benzoate has 1 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 (Z)-methyl 4-(2-((4-fluorophenyl)imino)-3-(4-methoxybenzyl)-4-oxo-1,3-thiazinane-6-carboxamido)benzoate?
The CAS number of (Z)-methyl 4-(2-((4-fluorophenyl)imino)-3-(4-methoxybenzyl)-4-oxo-1,3-thiazinane-6-carboxamido)benzoate is 385417-70-9.
What is the molecular formula of (Z)-methyl 4-(2-((4-fluorophenyl)imino)-3-(4-methoxybenzyl)-4-oxo-1,3-thiazinane-6-carboxamido)benzoate?
The molecular formula of (Z)-methyl 4-(2-((4-fluorophenyl)imino)-3-(4-methoxybenzyl)-4-oxo-1,3-thiazinane-6-carboxamido)benzoate is C27H24FN3O5S.
What is the molecular weight of (Z)-methyl 4-(2-((4-fluorophenyl)imino)-3-(4-methoxybenzyl)-4-oxo-1,3-thiazinane-6-carboxamido)benzoate?
The molecular weight of (Z)-methyl 4-(2-((4-fluorophenyl)imino)-3-(4-methoxybenzyl)-4-oxo-1,3-thiazinane-6-carboxamido)benzoate is 521.14 g/mol.
Where can I buy (Z)-methyl 4-(2-((4-fluorophenyl)imino)-3-(4-methoxybenzyl)-4-oxo-1,3-thiazinane-6-carboxamido)benzoate?
You can request a quote for (Z)-methyl 4-(2-((4-fluorophenyl)imino)-3-(4-methoxybenzyl)-4-oxo-1,3-thiazinane-6-carboxamido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-methyl 4-(2-((4-fluorophenyl)imino)-3-(4-methoxybenzyl)-4-oxo-1,3-thiazinane-6-carboxamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-methyl 4-(2-((4-fluorophenyl)imino)-3-(4-methoxybenzyl)-4-oxo-1,3-thiazinane-6-carboxamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.