A3211/0136207
TL;DR: A3211/0136207 (CAS 519146-43-1) is a chemical compound with molecular formula C29H29N3O5S and molecular weight 531.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[6-[(4-methoxyphenyl)carbamoyl]-4-oxo-3-(2-phenylethyl)-1,3-thiazinan-2-ylidene]amino]benzoate
Also Known As: A3211/0136207, (Z)-ethyl 4-((6-((4-methoxyphenyl)carbamoyl)-4-oxo-3-phenethyl-1,3-thiazinan-2-ylidene)amino)benzoate, ETHYL 4-({6-[(4-METHOXYANILINO)CARBONYL]-4-OXO-3-PHENETHYL-1,3-THIAZINAN-2-YLIDEN}AMINO)BENZOATE, ethyl 4-[[6-[(4-methoxyphenyl)carbamoyl]-4-oxo-3-phenethyl-1,3-thiazinan-2-ylidene]amino]benzoate, ethyl 4-{[(2Z)-6-[(4-methoxyphenyl)carbamoyl]-4-oxo-3-(2-phenylethyl)-1,3-thiazinan-2-ylidene]amino}benzoate
| Molecular Formula | C29H29N3O5S |
|---|---|
| Molecular Weight | 531.18 g/mol |
| LogP | 5.0749 |
| Topological Polar Surface Area | 97.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 531.1828 |
| Heavy Atoms | 38 |
| Complexity | 1294.0536 |
Chemical Identifiers
| CAS Number | 519146-43-1 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N=C2N(C(=O)CC(S2)C(=O)NC3=CC=C(C=C3)OC)CCC4=CC=CC=C4 |
Product Overview
A3211/0136207 (CAS 519146-43-1), with molecular formula C29H29N3O5S and molecular weight 531.18 g/mol. IUPAC: ethyl 4-[[6-[(4-methoxyphenyl)carbamoyl]-4-oxo-3-(2-phenylethyl)-1,3-thiazinan-2-ylidene]amino]benzoate.
Chemical Property Profile of A3211/0136207
Property Insights of A3211/0136207
The XLogP value of 5.0749 indicates that A3211/0136207 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 A3211/0136207. Following Lipinski's Rule of Five, A3211/0136207 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 A3211/0136207?
The CAS number of A3211/0136207 is 519146-43-1.
What is the molecular formula of A3211/0136207?
The molecular formula of A3211/0136207 is C29H29N3O5S.
What is the molecular weight of A3211/0136207?
The molecular weight of A3211/0136207 is 531.18 g/mol.
Where can I buy A3211/0136207?
You can request a quote for A3211/0136207 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3211/0136207?
Yes, KEHONG BIO provides custom synthesis services for A3211/0136207 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.