ChemDiv2_001718
TL;DR: ChemDiv2_001718 (CAS 501112-38-5) is a chemical compound with molecular formula C17H17NO4S2 and molecular weight 363.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(15-oxo-8-oxa-12,16-dithia-14-azatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,13(17)-tetraen-14-yl)acetate
Also Known As: ChemDiv2_001718, ethyl (2-oxo-5a,11b-dihydro-2H,5H-chromeno[4',3':4,5]thiopyrano[2,3-d][1,3]thiazol-3(6H)-yl)acetate, ethyl 2-(10-oxo-7H,11bH,6aH-1,3-thiazolino[5',4'-6,5]thiino[3,4-c]chroman-9-yl )acetate, Ethyl 2-(2-oxo-5a,11b-dihydro-2H,5H-chromeno[4',3':4,5]thiopyrano[2,3-d]thiazol-3(6H)-yl)acetate, ethyl 2-(2-oxo-5a,6-dihydrochromeno[4',3':4,5]thiopyrano[2,3-d]thiazol-3(2H,5H,11bH)-yl)acetate
| Molecular Formula | C17H17NO4S2 |
|---|---|
| Molecular Weight | 363.06 g/mol |
| LogP | 2.7191 |
| Topological Polar Surface Area | 57.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 363.0599 |
| Heavy Atoms | 24 |
| Complexity | 841.3564 |
Chemical Identifiers
| CAS Number | 501112-38-5 |
|---|---|
| SMILES | CCOC(=O)CN1C2=C(C3C(COC4=CC=CC=C34)CS2)SC1=O |
Product Overview
ChemDiv2_001718 (CAS 501112-38-5), with molecular formula C17H17NO4S2 and molecular weight 363.06 g/mol. IUPAC: ethyl 2-(15-oxo-8-oxa-12,16-dithia-14-azatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,13(17)-tetraen-14-yl)acetate.
Chemical Property Profile of ChemDiv2_001718
Property Insights of ChemDiv2_001718
The XLogP value of 2.7191 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_001718. With a topological polar surface area (TPSA) of 57.53 Ų, ChemDiv2_001718 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv2_001718 has 0 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_001718?
The CAS number of ChemDiv2_001718 is 501112-38-5.
What is the molecular formula of ChemDiv2_001718?
The molecular formula of ChemDiv2_001718 is C17H17NO4S2.
What is the molecular weight of ChemDiv2_001718?
The molecular weight of ChemDiv2_001718 is 363.06 g/mol.
Where can I buy ChemDiv2_001718?
You can request a quote for ChemDiv2_001718 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_001718?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_001718 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.