BAS 02239474
TL;DR: BAS 02239474 (CAS 401923-18-0) is a chemical compound with molecular formula C21H21N3O5S and molecular weight 427.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-(4-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate
Also Known As: BAS 02239474, (Z)-methyl 4-(2-((4-methoxyphenyl)imino)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamido)benzoate, methyl 4-[({(2Z)-2-[(4-methoxyphenyl)imino]-3-methyl-4-oxo-1,3-thiazinan-6-yl}carbonyl)amino]benzoate, methyl 4-({2-[(4-methoxyphenyl)azamethylene]-3-methyl-4-oxo-1,3-thiazaperhydro in-6-yl}carbonylamino)benzoate, methyl 4-[[2-(4-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate
| Molecular Formula | C21H21N3O5S |
|---|---|
| Molecular Weight | 427.12 g/mol |
| LogP | 3.0719 |
| Topological Polar Surface Area | 97.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 427.12018 |
| Heavy Atoms | 30 |
| Complexity | 973.1413 |
Chemical Identifiers
| CAS Number | 401923-18-0 |
|---|---|
| SMILES | CN1C(=O)CC(SC1=NC2=CC=C(C=C2)OC)C(=O)NC3=CC=C(C=C3)C(=O)OC |
Product Overview
BAS 02239474 (CAS 401923-18-0), with molecular formula C21H21N3O5S and molecular weight 427.12 g/mol. IUPAC: methyl 4-[[2-(4-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate.
Chemical Property Profile of BAS 02239474
Property Insights of BAS 02239474
The XLogP value of 3.0719 indicates that BAS 02239474 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 BAS 02239474. Following Lipinski's Rule of Five, BAS 02239474 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 02239474?
The CAS number of BAS 02239474 is 401923-18-0.
What is the molecular formula of BAS 02239474?
The molecular formula of BAS 02239474 is C21H21N3O5S.
What is the molecular weight of BAS 02239474?
The molecular weight of BAS 02239474 is 427.12 g/mol.
Where can I buy BAS 02239474?
You can request a quote for BAS 02239474 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02239474?
Yes, KEHONG BIO provides custom synthesis services for BAS 02239474 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.