A3212/0136227
TL;DR: A3212/0136227 (CAS 522650-17-5) is a chemical compound with molecular formula C28H25N3O6S and molecular weight 531.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-6-(phenylcarbamoyl)-1,3-thiazinan-2-ylidene]amino]benzoate
Also Known As: A3212/0136227, (Z)-ethyl 4-((3-(benzo[d][1,3]dioxol-5-ylmethyl)-4-oxo-6-(phenylcarbamoyl)-1,3-thiazinan-2-ylidene)amino)benzoate, ethyl 4-{[(2Z)-3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-6-(phenylcarbamoyl)-1,3-thiazinan-2-ylidene]amino}benzoate, ethyl 4-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-6-(phenylcarbamoyl)-1,3-thiazinan-2-ylidene]amino]benzoate, ETHYL 4-{[(2Z)-3-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-4-OXO-6-(PHENYLCARBAMOYL)-1,3-THIAZINAN-2-YLIDENE]AMINO}BENZOATE
| Molecular Formula | C28H25N3O6S |
|---|---|
| Molecular Weight | 531.15 g/mol |
| LogP | 4.7525 |
| Topological Polar Surface Area | 106.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 531.1464 |
| Heavy Atoms | 38 |
| Complexity | 1377.0962 |
Chemical Identifiers
| CAS Number | 522650-17-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N=C2N(C(=O)CC(S2)C(=O)NC3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5 |
Product Overview
A3212/0136227 (CAS 522650-17-5), with molecular formula C28H25N3O6S and molecular weight 531.15 g/mol. IUPAC: ethyl 4-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-6-(phenylcarbamoyl)-1,3-thiazinan-2-ylidene]amino]benzoate.
Chemical Property Profile of A3212/0136227
Property Insights of A3212/0136227
The XLogP value of 4.7525 indicates that A3212/0136227 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.53 Ų falls within the moderate polarity range, balancing permeability and solubility for A3212/0136227. Following Lipinski's Rule of Five, A3212/0136227 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3212/0136227?
The CAS number of A3212/0136227 is 522650-17-5.
What is the molecular formula of A3212/0136227?
The molecular formula of A3212/0136227 is C28H25N3O6S.
What is the molecular weight of A3212/0136227?
The molecular weight of A3212/0136227 is 531.15 g/mol.
Where can I buy A3212/0136227?
You can request a quote for A3212/0136227 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3212/0136227?
Yes, KEHONG BIO provides custom synthesis services for A3212/0136227 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.