BAS 03321620
TL;DR: BAS 03321620 (CAS 361198-90-5) is a chemical compound with molecular formula C27H22N2O5S and molecular weight 486.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-1-(1,3-benzothiazol-2-yl)-5-(3,4-dimethoxyphenyl)-4-[hydroxy-(4-methylphenyl)methylidene]pyrrolidine-2,3-dione
Also Known As: BAS 03321620, A2624/0111665, (4E)-1-(1,3-benzothiazol-2-yl)-5-(3,4-dimethoxyphenyl)-4-[hydroxy-(4-methylphenyl)methylidene]pyrrolidine-2,3-dione, (E)-[1-(1,3-benzothiazol-3-ium-2-yl)-2-(3,4-dimethoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene](4-methylphenyl)methanolate, 1-(1,3-BENZOTHIAZOL-2-YL)-5-(3,4-DIMETHOXYPHENYL)-3-HYDROXY-4-(4-METHYLBENZOYL)-2,5-DIHYDRO-1H-PYRROL-2-ONE
| Molecular Formula | C27H22N2O5S |
|---|---|
| Molecular Weight | 486.12 g/mol |
| LogP | 5.24822 |
| Topological Polar Surface Area | 88.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 486.12494 |
| Heavy Atoms | 35 |
| Complexity | 1456.2462 |
Chemical Identifiers
| CAS Number | 361198-90-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=NC4=CC=CC=C4S3)C5=CC(=C(C=C5)OC)OC)/O |
Product Overview
BAS 03321620 (CAS 361198-90-5), with molecular formula C27H22N2O5S and molecular weight 486.12 g/mol. IUPAC: (4E)-1-(1,3-benzothiazol-2-yl)-5-(3,4-dimethoxyphenyl)-4-[hydroxy-(4-methylphenyl)methylidene]pyrrolidine-2,3-dione.
Chemical Property Profile of BAS 03321620
Property Insights of BAS 03321620
The XLogP value of 5.24822 indicates that BAS 03321620 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.96 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03321620. Following Lipinski's Rule of Five, BAS 03321620 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 BAS 03321620?
The CAS number of BAS 03321620 is 361198-90-5.
What is the molecular formula of BAS 03321620?
The molecular formula of BAS 03321620 is C27H22N2O5S.
What is the molecular weight of BAS 03321620?
The molecular weight of BAS 03321620 is 486.12 g/mol.
Where can I buy BAS 03321620?
You can request a quote for BAS 03321620 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03321620?
Yes, KEHONG BIO provides custom synthesis services for BAS 03321620 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.