![(2-(Allylamino)-4-aminothiazol-5-yl)(benzo[d][1,3]dioxol-5-yl)methanone structure](/static/products/445/445382-22-9.png)
(2-(Allylamino)-4-aminothiazol-5-yl)(benzo[d][1,3]dioxol-5-yl)methanone
TL;DR: (2-(Allylamino)-4-aminothiazol-5-yl)(benzo[d][1,3]dioxol-5-yl)methanone (CAS 445382-22-9) is a chemical compound with molecular formula C14H13N3O3S and molecular weight 303.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-amino-2-(prop-2-enylamino)-1,3-thiazol-5-yl]-(1,3-benzodioxol-5-yl)methanone
Also Known As: (2-(allylamino)-4-aminothiazol-5-yl)(benzo[d][1,3]dioxol-5-yl)methanone, [2-(allylamino)-4-amino-1,3-thiazol-5-yl](1,3-benzodioxol-5-yl)methanone, [4-amino-2-(prop-2-enylamino)-1,3-thiazol-5-yl]-(1,3-benzodioxol-5-yl)methanone
| Molecular Formula | C14H13N3O3S |
|---|---|
| Molecular Weight | 303.07 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 303.06775 |
| Heavy Atoms | 21 |
| Complexity | 409.0 |
Chemical Identifiers
| CAS Number | 445382-22-9 |
|---|---|
| SMILES | C=CCNC1=NC(=C(S1)C(=O)C2=CC3=C(C=C2)OCO3)N |
| InChIKey | QZGNNZWLTJDKRG-UHFFFAOYSA-N |
Product Overview
(2-(Allylamino)-4-aminothiazol-5-yl)(benzo[d][1,3]dioxol-5-yl)methanone (CAS 445382-22-9), with molecular formula C14H13N3O3S and molecular weight 303.07 g/mol. IUPAC: [4-amino-2-(prop-2-enylamino)-1,3-thiazol-5-yl]-(1,3-benzodioxol-5-yl)methanone.
Chemical Property Profile of (2-(Allylamino)-4-aminothiazol-5-yl)(benzo[d][1,3]dioxol-5-yl)methanone
Property Insights of (2-(Allylamino)-4-aminothiazol-5-yl)(benzo[d][1,3]dioxol-5-yl)methanone
The XLogP value of 3.6 indicates that (2-(Allylamino)-4-aminothiazol-5-yl)(benzo[d][1,3]dioxol-5-yl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-(Allylamino)-4-aminothiazol-5-yl)(benzo[d][1,3]dioxol-5-yl)methanone. Following Lipinski's Rule of Five, (2-(Allylamino)-4-aminothiazol-5-yl)(benzo[d][1,3]dioxol-5-yl)methanone has 2 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 (2-(Allylamino)-4-aminothiazol-5-yl)(benzo[d][1,3]dioxol-5-yl)methanone?
The CAS number of (2-(Allylamino)-4-aminothiazol-5-yl)(benzo[d][1,3]dioxol-5-yl)methanone is 445382-22-9.
What is the molecular formula of (2-(Allylamino)-4-aminothiazol-5-yl)(benzo[d][1,3]dioxol-5-yl)methanone?
The molecular formula of (2-(Allylamino)-4-aminothiazol-5-yl)(benzo[d][1,3]dioxol-5-yl)methanone is C14H13N3O3S.
What is the molecular weight of (2-(Allylamino)-4-aminothiazol-5-yl)(benzo[d][1,3]dioxol-5-yl)methanone?
The molecular weight of (2-(Allylamino)-4-aminothiazol-5-yl)(benzo[d][1,3]dioxol-5-yl)methanone is 303.07 g/mol.
Where can I buy (2-(Allylamino)-4-aminothiazol-5-yl)(benzo[d][1,3]dioxol-5-yl)methanone?
You can request a quote for (2-(Allylamino)-4-aminothiazol-5-yl)(benzo[d][1,3]dioxol-5-yl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-(Allylamino)-4-aminothiazol-5-yl)(benzo[d][1,3]dioxol-5-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (2-(Allylamino)-4-aminothiazol-5-yl)(benzo[d][1,3]dioxol-5-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.