A3211/0136202
TL;DR: A3211/0136202 (CAS 519146-56-6) is a chemical compound with molecular formula C30H31N3O5S and molecular weight 545.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[3-[2-(4-methoxyphenyl)ethyl]-6-[(3-methylphenyl)carbamoyl]-4-oxo-1,3-thiazinan-2-ylidene]amino]benzoate
Also Known As: A3211/0136202, (Z)-ethyl 4-((3-(4-methoxyphenethyl)-4-oxo-6-(m-tolylcarbamoyl)-1,3-thiazinan-2-ylidene)amino)benzoate, ethyl 4-({(2Z)-3-[2-(4-methoxyphenyl)ethyl]-6-[(3-methylphenyl)carbamoyl]-4-oxo-1,3-thiazinan-2-ylidene}amino)benzoate, ethyl 4-[[3-[2-(4-methoxyphenyl)ethyl]-6-[(3-methylphenyl)carbamoyl]-4-oxo-1,3-thiazinan-2-ylidene]amino]benzoate, ETHYL 4-{[(2Z)-3-[2-(4-METHOXYPHENYL)ETHYL]-6-[(3-METHYLPHENYL)CARBAMOYL]-4-OXO-1,3-THIAZINAN-2-YLIDENE]AMINO}BENZOATE
| Molecular Formula | C30H31N3O5S |
|---|---|
| Molecular Weight | 545.20 g/mol |
| LogP | 5.38332 |
| Topological Polar Surface Area | 97.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 545.1984 |
| Heavy Atoms | 39 |
| Complexity | 1355.7705 |
Chemical Identifiers
| CAS Number | 519146-56-6 |
|---|---|
| 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)OC |
Product Overview
A3211/0136202 (CAS 519146-56-6), with molecular formula C30H31N3O5S and molecular weight 545.20 g/mol. IUPAC: ethyl 4-[[3-[2-(4-methoxyphenyl)ethyl]-6-[(3-methylphenyl)carbamoyl]-4-oxo-1,3-thiazinan-2-ylidene]amino]benzoate.
Chemical Property Profile of A3211/0136202
Property Insights of A3211/0136202
The XLogP value of 5.38332 indicates that A3211/0136202 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 A3211/0136202. Following Lipinski's Rule of Five, A3211/0136202 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 A3211/0136202?
The CAS number of A3211/0136202 is 519146-56-6.
What is the molecular formula of A3211/0136202?
The molecular formula of A3211/0136202 is C30H31N3O5S.
What is the molecular weight of A3211/0136202?
The molecular weight of A3211/0136202 is 545.20 g/mol.
Where can I buy A3211/0136202?
You can request a quote for A3211/0136202 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3211/0136202?
Yes, KEHONG BIO provides custom synthesis services for A3211/0136202 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.