BAS 00296682
TL;DR: BAS 00296682 (CAS 330968-29-1) is a chemical compound with molecular formula C21H18N4O3S2 and molecular weight 438.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-(3-ethyl-1,3-benzothiazol-2-ylidene)-2-(4-nitrophenyl)imino-3-prop-2-enyl-1,3-thiazolidin-4-one
Also Known As: BAS 00296682, 3-allyl-5-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)-2-({4-nitrophenyl}imino)-1,3-thiazolidin-4-one, (5Z)-5-(3-ethyl-1,3-benzothiazol-2-ylidene)-2-(4-nitrophenyl)imino-3-prop-2-enyl-1,3-thiazolidin-4-one
| Molecular Formula | C21H18N4O3S2 |
|---|---|
| Molecular Weight | 438.08 g/mol |
| LogP | 5.145 |
| Topological Polar Surface Area | 79.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 438.08203 |
| Heavy Atoms | 30 |
| Complexity | 1095.6853 |
Chemical Identifiers
| CAS Number | 330968-29-1 |
|---|---|
| SMILES | CCN\1C2=CC=CC=C2S/C1=C\3/C(=O)N(C(=NC4=CC=C(C=C4)[N+](=O)[O-])S3)CC=C |
Product Overview
BAS 00296682 (CAS 330968-29-1), with molecular formula C21H18N4O3S2 and molecular weight 438.08 g/mol. IUPAC: (5Z)-5-(3-ethyl-1,3-benzothiazol-2-ylidene)-2-(4-nitrophenyl)imino-3-prop-2-enyl-1,3-thiazolidin-4-one.
Chemical Property Profile of BAS 00296682
Property Insights of BAS 00296682
The XLogP value of 5.145 indicates that BAS 00296682 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.05 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00296682. Following Lipinski's Rule of Five, BAS 00296682 has 0 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 00296682?
The CAS number of BAS 00296682 is 330968-29-1.
What is the molecular formula of BAS 00296682?
The molecular formula of BAS 00296682 is C21H18N4O3S2.
What is the molecular weight of BAS 00296682?
The molecular weight of BAS 00296682 is 438.08 g/mol.
Where can I buy BAS 00296682?
You can request a quote for BAS 00296682 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00296682?
Yes, KEHONG BIO provides custom synthesis services for BAS 00296682 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.