N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)propanamide
TL;DR: N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)propanamide (CAS 868370-16-5) is a chemical compound with molecular formula C13H16N2O3S and molecular weight 280.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)propanamide
Also Known As: N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)propanamide, (Z)-N-(4,7-dimethoxy-3-methylbenzo[d]thiazol-2(3H)-ylidene)propionamide, F1814-0847, N-[(2Z)-4,7-dimethoxy-3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]propanamide, N-(4,7-Dimethoxy-3-methylbenzo[d]thiazol-2(3H)-ylidene)propionamide
| Molecular Formula | C13H16N2O3S |
|---|---|
| Molecular Weight | 280.09 g/mol |
| LogP | 2.0943 |
| Topological Polar Surface Area | 52.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 280.08817 |
| Heavy Atoms | 19 |
| Complexity | 684.9885 |
Chemical Identifiers
| CAS Number | 868370-16-5 |
|---|---|
| SMILES | CCC(=O)N=C1N(C2=C(C=CC(=C2S1)OC)OC)C |
Product Overview
N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)propanamide (CAS 868370-16-5), with molecular formula C13H16N2O3S and molecular weight 280.09 g/mol. IUPAC: N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)propanamide.
Chemical Property Profile of N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)propanamide
Property Insights of N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)propanamide
The XLogP value of 2.0943 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)propanamide. With a topological polar surface area (TPSA) of 52.82 Ų, N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)propanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)propanamide has 0 hydrogen bond donor(s) and 4 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 N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)propanamide?
The CAS number of N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)propanamide is 868370-16-5.
What is the molecular formula of N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)propanamide?
The molecular formula of N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)propanamide is C13H16N2O3S.
What is the molecular weight of N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)propanamide?
The molecular weight of N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)propanamide is 280.09 g/mol.
Where can I buy N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)propanamide?
You can request a quote for N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)propanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.