A3246/0137917
TL;DR: A3246/0137917 (CAS 587848-84-8) 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.
ethyl 4-[[3-benzyl-2-(3-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate
Also Known As: A3246/0137917, ethyl 4-[[3-benzyl-2-(3-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate, (Z)-ethyl 4-(3-benzyl-2-((3-fluorophenyl)imino)-4-oxo-1,3-thiazinane-6-carboxamido)benzoate, ethyl 4-[({(2Z)-3-benzyl-2-[(3-fluorophenyl)imino]-4-oxo-1,3-thiazinan-6-yl}carbonyl)amino]benzoate, ETHYL 4-[({3-BENZYL-2-[(3-FLUOROPHENYL)IMINO]-4-OXO-1,3-THIAZINAN-6-YL}CARBONYL)AMINO]BENZOATE
| Molecular Formula | C27H24FN3O4S |
|---|---|
| Molecular Weight | 505.15 g/mol |
| LogP | 5.1629 |
| 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 | 1281.6909 |
Chemical Identifiers
| CAS Number | 587848-84-8 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CC(=O)N(C(=NC3=CC(=CC=C3)F)S2)CC4=CC=CC=C4 |
Product Overview
A3246/0137917 (CAS 587848-84-8), with molecular formula C27H24FN3O4S and molecular weight 505.15 g/mol. IUPAC: ethyl 4-[[3-benzyl-2-(3-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate.
Chemical Property Profile of A3246/0137917
Property Insights of A3246/0137917
The XLogP value of 5.1629 indicates that A3246/0137917 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 A3246/0137917. Following Lipinski's Rule of Five, A3246/0137917 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 A3246/0137917?
The CAS number of A3246/0137917 is 587848-84-8.
What is the molecular formula of A3246/0137917?
The molecular formula of A3246/0137917 is C27H24FN3O4S.
What is the molecular weight of A3246/0137917?
The molecular weight of A3246/0137917 is 505.15 g/mol.
Where can I buy A3246/0137917?
You can request a quote for A3246/0137917 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3246/0137917?
Yes, KEHONG BIO provides custom synthesis services for A3246/0137917 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.