ChemDiv1_003631
TL;DR: ChemDiv1_003631 (CAS 175648-68-7) is a chemical compound with molecular formula C19H25N3O4S and molecular weight 391.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-amino-12,12-dimethyl-8-morpholin-4-yl-11-oxa-5-thia-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,7-tetraene-4-carboxylate
Also Known As: ChemDiv1_003631, BAS 00288760, ethyl 1-amino-8,8-dimethyl-5-morpholino-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxylate, ethyl 1-amino-8,8-dimethyl-5-(4-morpholinyl)-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxylate, ethyl 1-amino-8,8-dimethyl-5-(morpholin-4-yl)-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxylate
| Molecular Formula | C19H25N3O4S |
|---|---|
| Molecular Weight | 391.16 g/mol |
| LogP | 2.7431 |
| Topological Polar Surface Area | 86.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 391.1566 |
| Heavy Atoms | 27 |
| Complexity | 886.9425 |
Chemical Identifiers
| CAS Number | 175648-68-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(S1)N=C(C3=C2CC(OC3)(C)C)N4CCOCC4)N |
Product Overview
ChemDiv1_003631 (CAS 175648-68-7), with molecular formula C19H25N3O4S and molecular weight 391.16 g/mol. IUPAC: ethyl 3-amino-12,12-dimethyl-8-morpholin-4-yl-11-oxa-5-thia-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,7-tetraene-4-carboxylate.
Chemical Property Profile of ChemDiv1_003631
Property Insights of ChemDiv1_003631
The XLogP value of 2.7431 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_003631. The TPSA of 86.91 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_003631. Following Lipinski's Rule of Five, ChemDiv1_003631 has 1 hydrogen bond donor(s) and 8 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_003631?
The CAS number of ChemDiv1_003631 is 175648-68-7.
What is the molecular formula of ChemDiv1_003631?
The molecular formula of ChemDiv1_003631 is C19H25N3O4S.
What is the molecular weight of ChemDiv1_003631?
The molecular weight of ChemDiv1_003631 is 391.16 g/mol.
Where can I buy ChemDiv1_003631?
You can request a quote for ChemDiv1_003631 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003631?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003631 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.