ChemDiv2_005271
TL;DR: ChemDiv2_005271 (CAS 329934-92-1) is a chemical compound with molecular formula C16H17NO4S and molecular weight 319.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-amino-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydrochromene-3-carboxylate
Also Known As: ChemDiv2_005271, BAS 00673182, IDI1_003986, AB00091692-01, ethyl 2-amino-5-oxo-4-(thiophen-2-yl)-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
| Molecular Formula | C16H17NO4S |
|---|---|
| Molecular Weight | 319.09 g/mol |
| LogP | 2.6024 |
| Topological Polar Surface Area | 78.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 319.08783 |
| Heavy Atoms | 22 |
| Complexity | 672.32776 |
Chemical Identifiers
| CAS Number | 329934-92-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC2=C(C1C3=CC=CS3)C(=O)CCC2)N |
Product Overview
ChemDiv2_005271 (CAS 329934-92-1), with molecular formula C16H17NO4S and molecular weight 319.09 g/mol. IUPAC: ethyl 2-amino-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydrochromene-3-carboxylate.
Chemical Property Profile of ChemDiv2_005271
Property Insights of ChemDiv2_005271
The XLogP value of 2.6024 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_005271. The TPSA of 78.62 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_005271. Following Lipinski's Rule of Five, ChemDiv2_005271 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 ChemDiv2_005271?
The CAS number of ChemDiv2_005271 is 329934-92-1.
What is the molecular formula of ChemDiv2_005271?
The molecular formula of ChemDiv2_005271 is C16H17NO4S.
What is the molecular weight of ChemDiv2_005271?
The molecular weight of ChemDiv2_005271 is 319.09 g/mol.
Where can I buy ChemDiv2_005271?
You can request a quote for ChemDiv2_005271 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_005271?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_005271 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.