BAS 00609037
TL;DR: BAS 00609037 (CAS 99762-60-4) is a chemical compound with molecular formula C16H23NO4S and molecular weight 325.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5,5-dimethyl-2-(2-methylpropanoylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate
Also Known As: BAS 00609037, ethyl 2-(isobutyrylamino)-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate, AE-848/11105541, ethyl 5,5-dimethyl-2-(2-methylpropanoylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate, ethyl 2-isobutyramido-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate
| Molecular Formula | C16H23NO4S |
|---|---|
| Molecular Weight | 325.13 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 92.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 325.13477 |
| Heavy Atoms | 22 |
| Complexity | 438.0 |
Chemical Identifiers
| CAS Number | 99762-60-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CC(OC2)(C)C)NC(=O)C(C)C |
| InChIKey | NIMRJIQCSGWLLT-UHFFFAOYSA-N |
Product Overview
BAS 00609037 (CAS 99762-60-4), with molecular formula C16H23NO4S and molecular weight 325.13 g/mol. IUPAC: ethyl 5,5-dimethyl-2-(2-methylpropanoylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate.
Chemical Property Profile of BAS 00609037
Property Insights of BAS 00609037
The XLogP value of 3.3 indicates that BAS 00609037 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.9 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00609037. Following Lipinski's Rule of Five, BAS 00609037 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 00609037?
The CAS number of BAS 00609037 is 99762-60-4.
What is the molecular formula of BAS 00609037?
The molecular formula of BAS 00609037 is C16H23NO4S.
What is the molecular weight of BAS 00609037?
The molecular weight of BAS 00609037 is 325.13 g/mol.
Where can I buy BAS 00609037?
You can request a quote for BAS 00609037 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00609037?
Yes, KEHONG BIO provides custom synthesis services for BAS 00609037 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.