BAS 02226194
TL;DR: BAS 02226194 (CAS 492452-21-8) is a chemical compound with molecular formula C26H21N3O6S and molecular weight 503.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-phenylimino-1,3-thiazinane-6-carbonyl]amino]benzoic acid
Also Known As: BAS 02226194, (Z)-4-(3-(benzo[d][1,3]dioxol-5-ylmethyl)-4-oxo-2-(phenylimino)-1,3-thiazinane-6-carboxamido)benzoic acid, 4-({[(2Z)-3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-(phenylimino)-1,3-thiazinan-6-yl]carbonyl}amino)benzoic acid, 4-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-phenylimino-1,3-thiazinane-6-carbonyl]amino]benzoic acid, 4-{[3-(2H-benzo[3,4-d]1,3-dioxolan-5-ylmethyl)-4-oxo-2-(phenylazamethylene)-1, 3-thiazaperhydroin-6-yl]carbonylamino}benzoic acid
| Molecular Formula | C26H21N3O6S |
|---|---|
| Molecular Weight | 503.12 g/mol |
| LogP | 4.274 |
| Topological Polar Surface Area | 117.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 503.1151 |
| Heavy Atoms | 36 |
| Complexity | 1343.5453 |
Chemical Identifiers
| CAS Number | 492452-21-8 |
|---|---|
| SMILES | C1C(SC(=NC2=CC=CC=C2)N(C1=O)CC3=CC4=C(C=C3)OCO4)C(=O)NC5=CC=C(C=C5)C(=O)O |
Product Overview
BAS 02226194 (CAS 492452-21-8), with molecular formula C26H21N3O6S and molecular weight 503.12 g/mol. IUPAC: 4-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-phenylimino-1,3-thiazinane-6-carbonyl]amino]benzoic acid.
Chemical Property Profile of BAS 02226194
Property Insights of BAS 02226194
The XLogP value of 4.274 indicates that BAS 02226194 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.53 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02226194. Following Lipinski's Rule of Five, BAS 02226194 has 2 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 BAS 02226194?
The CAS number of BAS 02226194 is 492452-21-8.
What is the molecular formula of BAS 02226194?
The molecular formula of BAS 02226194 is C26H21N3O6S.
What is the molecular weight of BAS 02226194?
The molecular weight of BAS 02226194 is 503.12 g/mol.
Where can I buy BAS 02226194?
You can request a quote for BAS 02226194 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02226194?
Yes, KEHONG BIO provides custom synthesis services for BAS 02226194 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.