![(3Z)-4-imino-3-(1H-indol-3-ylmethylidene)-8-(methylsulfonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one structure](/static/products/899/899388-65-9.png)
(3Z)-4-imino-3-(1H-indol-3-ylmethylidene)-8-(methylsulfonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one
TL;DR: (3Z)-4-imino-3-(1H-indol-3-ylmethylidene)-8-(methylsulfonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one (CAS 899388-65-9) is a chemical compound with molecular formula C20H14N4O3S2 and molecular weight 422.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-3-[(Z)-indol-3-ylidenemethyl]-8-methylsulfonylpyrimido[2,1-b][1,3]benzothiazol-2-one
Also Known As: (3Z)-4-imino-3-(1H-indol-3-ylmethylidene)-8-(methylsulfonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one, (Z)-3-((1H-indol-3-yl)methylene)-4-imino-8-(methylsulfonyl)-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one, 4-amino-3-[(Z)-indol-3-ylidenemethyl]-8-methylsulfonylpyrimido[2,1-b][1,3]benzothiazol-2-one
| Molecular Formula | C20H14N4O3S2 |
|---|---|
| Molecular Weight | 422.05 g/mol |
| LogP | 3.1514 |
| Topological Polar Surface Area | 106.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 422.05072 |
| Heavy Atoms | 29 |
| Complexity | 1560.1895 |
Chemical Identifiers
| CAS Number | 899388-65-9 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC2=C(C=C1)N3C(=C(C(=O)N=C3S2)/C=C/4\C=NC5=CC=CC=C54)N |
Product Overview
(3Z)-4-imino-3-(1H-indol-3-ylmethylidene)-8-(methylsulfonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one (CAS 899388-65-9), with molecular formula C20H14N4O3S2 and molecular weight 422.05 g/mol. IUPAC: 4-amino-3-[(Z)-indol-3-ylidenemethyl]-8-methylsulfonylpyrimido[2,1-b][1,3]benzothiazol-2-one.
Chemical Property Profile of (3Z)-4-imino-3-(1H-indol-3-ylmethylidene)-8-(methylsulfonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one
Property Insights of (3Z)-4-imino-3-(1H-indol-3-ylmethylidene)-8-(methylsulfonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one
The XLogP value of 3.1514 indicates that (3Z)-4-imino-3-(1H-indol-3-ylmethylidene)-8-(methylsulfonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.89 Ų falls within the moderate polarity range, balancing permeability and solubility for (3Z)-4-imino-3-(1H-indol-3-ylmethylidene)-8-(methylsulfonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one. Following Lipinski's Rule of Five, (3Z)-4-imino-3-(1H-indol-3-ylmethylidene)-8-(methylsulfonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one 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 (3Z)-4-imino-3-(1H-indol-3-ylmethylidene)-8-(methylsulfonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one?
The CAS number of (3Z)-4-imino-3-(1H-indol-3-ylmethylidene)-8-(methylsulfonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one is 899388-65-9.
What is the molecular formula of (3Z)-4-imino-3-(1H-indol-3-ylmethylidene)-8-(methylsulfonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one?
The molecular formula of (3Z)-4-imino-3-(1H-indol-3-ylmethylidene)-8-(methylsulfonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one is C20H14N4O3S2.
What is the molecular weight of (3Z)-4-imino-3-(1H-indol-3-ylmethylidene)-8-(methylsulfonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one?
The molecular weight of (3Z)-4-imino-3-(1H-indol-3-ylmethylidene)-8-(methylsulfonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one is 422.05 g/mol.
Where can I buy (3Z)-4-imino-3-(1H-indol-3-ylmethylidene)-8-(methylsulfonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one?
You can request a quote for (3Z)-4-imino-3-(1H-indol-3-ylmethylidene)-8-(methylsulfonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3Z)-4-imino-3-(1H-indol-3-ylmethylidene)-8-(methylsulfonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one?
Yes, KEHONG BIO provides custom synthesis services for (3Z)-4-imino-3-(1H-indol-3-ylmethylidene)-8-(methylsulfonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.