ChemDiv1_011013
TL;DR: ChemDiv1_011013 (CAS 312271-48-0) is a chemical compound with molecular formula C17H19NO4S and molecular weight 333.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-amino-7,7-dimethyl-5-oxo-4-thiophen-2-yl-6,8-dihydro-4H-chromene-3-carboxylate
Also Known As: ChemDiv1_011013, methyl 2-amino-7,7-dimethyl-5-oxo-4-(thiophen-2-yl)-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate, VU0060435-5, methyl 2-amino-7,7-dimethyl-5-oxo-4-thiophen-2-yl-6,8-dihydro-4H-chromene-3-carboxylate, F1443-6489
| Molecular Formula | C17H19NO4S |
|---|---|
| Molecular Weight | 333.10 g/mol |
| LogP | 2.8484 |
| Topological Polar Surface Area | 78.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 333.1035 |
| Heavy Atoms | 23 |
| Complexity | 727.7843 |
Chemical Identifiers
| CAS Number | 312271-48-0 |
|---|---|
| SMILES | CC1(CC2=C(C(C(=C(O2)N)C(=O)OC)C3=CC=CS3)C(=O)C1)C |
Product Overview
ChemDiv1_011013 (CAS 312271-48-0), with molecular formula C17H19NO4S and molecular weight 333.10 g/mol. IUPAC: methyl 2-amino-7,7-dimethyl-5-oxo-4-thiophen-2-yl-6,8-dihydro-4H-chromene-3-carboxylate.
Chemical Property Profile of ChemDiv1_011013
Property Insights of ChemDiv1_011013
The XLogP value of 2.8484 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_011013. The TPSA of 78.62 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_011013. Following Lipinski's Rule of Five, ChemDiv1_011013 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 ChemDiv1_011013?
The CAS number of ChemDiv1_011013 is 312271-48-0.
What is the molecular formula of ChemDiv1_011013?
The molecular formula of ChemDiv1_011013 is C17H19NO4S.
What is the molecular weight of ChemDiv1_011013?
The molecular weight of ChemDiv1_011013 is 333.10 g/mol.
Where can I buy ChemDiv1_011013?
You can request a quote for ChemDiv1_011013 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_011013?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_011013 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.