A3212/0136211
TL;DR: A3212/0136211 (CAS 522650-00-6) is a chemical compound with molecular formula C29H28FN3O5S and molecular weight 549.17 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-[(4-methoxyphenyl)carbamoyl]-4-oxo-1,3-thiazinan-2-ylidene]amino]benzoate
Also Known As: A3212/0136211, (Z)-ethyl 4-((3-(4-fluorophenethyl)-6-((4-methoxyphenyl)carbamoyl)-4-oxo-1,3-thiazinan-2-ylidene)amino)benzoate, ethyl 4-({(2Z)-3-[2-(4-fluorophenyl)ethyl]-6-[(4-methoxyphenyl)carbamoyl]-4-oxo-1,3-thiazinan-2-ylidene}amino)benzoate, ETHYL 4-({3-(4-FLUOROPHENETHYL)-6-[(4-METHOXYANILINO)CARBONYL]-4-OXO-1,3-THIAZINAN-2-YLIDEN}AMINO)BENZOATE, ethyl 4-[[3-[2-(4-fluorophenyl)ethyl]-6-[(4-methoxyphenyl)carbamoyl]-4-oxo-1,3-thiazinan-2-ylidene]amino]benzoate
| Molecular Formula | C29H28FN3O5S |
|---|---|
| Molecular Weight | 549.17 g/mol |
| LogP | 5.214 |
| Topological Polar Surface Area | 97.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 549.17334 |
| Heavy Atoms | 39 |
| Complexity | 1344.8458 |
Chemical Identifiers
| CAS Number | 522650-00-6 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N=C2N(C(=O)CC(S2)C(=O)NC3=CC=C(C=C3)OC)CCC4=CC=C(C=C4)F |
Product Overview
A3212/0136211 (CAS 522650-00-6), with molecular formula C29H28FN3O5S and molecular weight 549.17 g/mol. IUPAC: ethyl 4-[[3-[2-(4-fluorophenyl)ethyl]-6-[(4-methoxyphenyl)carbamoyl]-4-oxo-1,3-thiazinan-2-ylidene]amino]benzoate.
Chemical Property Profile of A3212/0136211
Property Insights of A3212/0136211
The XLogP value of 5.214 indicates that A3212/0136211 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 A3212/0136211. Following Lipinski's Rule of Five, A3212/0136211 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 A3212/0136211?
The CAS number of A3212/0136211 is 522650-00-6.
What is the molecular formula of A3212/0136211?
The molecular formula of A3212/0136211 is C29H28FN3O5S.
What is the molecular weight of A3212/0136211?
The molecular weight of A3212/0136211 is 549.17 g/mol.
Where can I buy A3212/0136211?
You can request a quote for A3212/0136211 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3212/0136211?
Yes, KEHONG BIO provides custom synthesis services for A3212/0136211 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.