BAS 01103052
TL;DR: BAS 01103052 (CAS 336179-87-4) is a chemical compound with molecular formula C16H16N2O3S and molecular weight 316.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-3-(furan-2-yl)prop-2-enamide
Also Known As: BAS 01103052, BIM-0047257.P001, AB00103106-01, F0463-0053, (E)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-3-(furan-2-yl)prop-2-enamide
| Molecular Formula | C16H16N2O3S |
|---|---|
| Molecular Weight | 316.09 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 316.08817 |
| Heavy Atoms | 22 |
| Complexity | 492.0 |
Chemical Identifiers
| CAS Number | 336179-87-4 |
|---|---|
| SMILES | CC1(CC2=C(C(=O)C1)SC(=N2)NC(=O)/C=C/C3=CC=CO3)C |
| InChIKey | GDCOSNVLMOQEOM-AATRIKPKSA-N |
Product Overview
BAS 01103052 (CAS 336179-87-4), with molecular formula C16H16N2O3S and molecular weight 316.09 g/mol. IUPAC: (E)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-3-(furan-2-yl)prop-2-enamide.
Chemical Property Profile of BAS 01103052
Property Insights of BAS 01103052
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01103052. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01103052. Following Lipinski's Rule of Five, BAS 01103052 has 1 hydrogen bond donor(s) and 5 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 BAS 01103052?
The CAS number of BAS 01103052 is 336179-87-4.
What is the molecular formula of BAS 01103052?
The molecular formula of BAS 01103052 is C16H16N2O3S.
What is the molecular weight of BAS 01103052?
The molecular weight of BAS 01103052 is 316.09 g/mol.
Where can I buy BAS 01103052?
You can request a quote for BAS 01103052 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01103052?
Yes, KEHONG BIO provides custom synthesis services for BAS 01103052 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.