A3212/0136212
TL;DR: A3212/0136212 (CAS 522650-01-7) is a chemical compound with molecular formula C29H28FN3O4S and molecular weight 533.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[3-[2-(4-fluorophenyl)ethyl]-6-[(3-methylphenyl)carbamoyl]-4-oxo-1,3-thiazinan-2-ylidene]amino]benzoate
Also Known As: A3212/0136212, ethyl 4-({(2Z)-3-[2-(4-fluorophenyl)ethyl]-6-[(3-methylphenyl)carbamoyl]-4-oxo-1,3-thiazinan-2-ylidene}amino)benzoate, (Z)-ethyl 4-((3-(4-fluorophenethyl)-4-oxo-6-(m-tolylcarbamoyl)-1,3-thiazinan-2-ylidene)amino)benzoate, ethyl 4-[[3-[2-(4-fluorophenyl)ethyl]-6-[(3-methylphenyl)carbamoyl]-4-oxo-1,3-thiazinan-2-ylidene]amino]benzoate, ETHYL 4-{[(2Z)-3-[2-(4-FLUOROPHENYL)ETHYL]-6-[(3-METHYLPHENYL)CARBAMOYL]-4-OXO-1,3-THIAZINAN-2-YLIDENE]AMINO}BENZOATE
| Molecular Formula | C29H28FN3O4S |
|---|---|
| Molecular Weight | 533.18 g/mol |
| LogP | 5.51382 |
| Topological Polar Surface Area | 88.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 533.17847 |
| Heavy Atoms | 38 |
| Complexity | 1342.689 |
Chemical Identifiers
| CAS Number | 522650-01-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N=C2N(C(=O)CC(S2)C(=O)NC3=CC=CC(=C3)C)CCC4=CC=C(C=C4)F |
Product Overview
A3212/0136212 (CAS 522650-01-7), with molecular formula C29H28FN3O4S and molecular weight 533.18 g/mol. IUPAC: ethyl 4-[[3-[2-(4-fluorophenyl)ethyl]-6-[(3-methylphenyl)carbamoyl]-4-oxo-1,3-thiazinan-2-ylidene]amino]benzoate.
Chemical Property Profile of A3212/0136212
Property Insights of A3212/0136212
The XLogP value of 5.51382 indicates that A3212/0136212 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 A3212/0136212. Following Lipinski's Rule of Five, A3212/0136212 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 A3212/0136212?
The CAS number of A3212/0136212 is 522650-01-7.
What is the molecular formula of A3212/0136212?
The molecular formula of A3212/0136212 is C29H28FN3O4S.
What is the molecular weight of A3212/0136212?
The molecular weight of A3212/0136212 is 533.18 g/mol.
Where can I buy A3212/0136212?
You can request a quote for A3212/0136212 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3212/0136212?
Yes, KEHONG BIO provides custom synthesis services for A3212/0136212 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.