BAS 12490560
TL;DR: BAS 12490560 (CAS 868153-65-5) is a chemical compound with molecular formula C17H17NO5S and molecular weight 347.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-4,5-dimethylthiophene-3-carboxylate
Also Known As: BAS 12490560, methyl 2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-4,5-dimethylthiophene-3-carboxylate, F1736-0028, methyl 2-(2,3-dihydrobenzo[b][1,4]dioxine-2-carboxamido)-4,5-dimethylthiophene-3-carboxylate, methyl 2-(2H,3H-benzo[e]1,4-dioxan-2-ylcarbonylamino)-4,5-dimethylthiophene-3- carboxylate
| Molecular Formula | C17H17NO5S |
|---|---|
| Molecular Weight | 347.08 g/mol |
| LogP | 2.93004 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 347.08273 |
| Heavy Atoms | 24 |
| Complexity | 798.27374 |
Chemical Identifiers
| CAS Number | 868153-65-5 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC)NC(=O)C2COC3=CC=CC=C3O2)C |
Product Overview
BAS 12490560 (CAS 868153-65-5), with molecular formula C17H17NO5S and molecular weight 347.08 g/mol. IUPAC: methyl 2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-4,5-dimethylthiophene-3-carboxylate.
Chemical Property Profile of BAS 12490560
Property Insights of BAS 12490560
The XLogP value of 2.93004 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12490560. The TPSA of 73.86 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12490560. Following Lipinski's Rule of Five, BAS 12490560 has 1 hydrogen bond donor(s) and 6 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 12490560?
The CAS number of BAS 12490560 is 868153-65-5.
What is the molecular formula of BAS 12490560?
The molecular formula of BAS 12490560 is C17H17NO5S.
What is the molecular weight of BAS 12490560?
The molecular weight of BAS 12490560 is 347.08 g/mol.
Where can I buy BAS 12490560?
You can request a quote for BAS 12490560 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12490560?
Yes, KEHONG BIO provides custom synthesis services for BAS 12490560 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.