![N-(4-Chloro-phenyl)-2-(2-oxo-5a,11b-dihydro-5H,6H-7-oxa-1,4-dithia-3-aza-cyclopenta[c]phenanthren-3-yl)-acetamide structure](/static/products/850/850189-80-9.png)
N-(4-Chloro-phenyl)-2-(2-oxo-5a,11b-dihydro-5H,6H-7-oxa-1,4-dithia-3-aza-cyclopenta[c]phenanthren-3-yl)-acetamide
TL;DR: N-(4-Chloro-phenyl)-2-(2-oxo-5a,11b-dihydro-5H,6H-7-oxa-1,4-dithia-3-aza-cyclopenta[c]phenanthren-3-yl)-acetamide (CAS 850189-80-9) is a chemical compound with molecular formula C21H17ClN2O3S2 and molecular weight 444.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chlorophenyl)-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)acetamide
Also Known As: N-(4-Chloro-phenyl)-2-(2-oxo-5a,11b-dihydro-5H,6H-7-oxa-1,4-dithia-3-aza-cyclopenta[c]phenanthren-3-yl)-acetamide, N-(4-chlorophenyl)-2-(10-oxo(7H,11bH,6aH-1,3-thiazolino[5',4'-6,5]thiino[3,4-c ]chroman-9-yl))acetamide, N-(4-chlorophenyl)-2-(2-oxo-5a,11b-dihydro-2H,5H-chromeno[4',3':4,5]thiopyrano[2,3-d][1,3]thiazol-3(6H)-yl)acetamide, N-(4-chlorophenyl)-2-(2-oxo-5a,6-dihydrochromeno[4',3':4,5]thiopyrano[2,3-d]thiazol-3(2H,5H,11bH)-yl)acetamide
| Molecular Formula | C21H17ClN2O3S2 |
|---|---|
| Molecular Weight | 444.04 g/mol |
| LogP | 4.4481 |
| Topological Polar Surface Area | 60.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 444.03693 |
| Heavy Atoms | 29 |
| Complexity | 1139.5731 |
Chemical Identifiers
| CAS Number | 850189-80-9 |
|---|---|
| SMILES | C1C2CSC3=C(C2C4=CC=CC=C4O1)SC(=O)N3CC(=O)NC5=CC=C(C=C5)Cl |
Product Overview
N-(4-Chloro-phenyl)-2-(2-oxo-5a,11b-dihydro-5H,6H-7-oxa-1,4-dithia-3-aza-cyclopenta[c]phenanthren-3-yl)-acetamide (CAS 850189-80-9), with molecular formula C21H17ClN2O3S2 and molecular weight 444.04 g/mol. IUPAC: N-(4-chlorophenyl)-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)acetamide.
Chemical Property Profile of N-(4-Chloro-phenyl)-2-(2-oxo-5a,11b-dihydro-5H,6H-7-oxa-1,4-dithia-3-aza-cyclopenta[c]phenanthren-3-yl)-acetamide
Property Insights of N-(4-Chloro-phenyl)-2-(2-oxo-5a,11b-dihydro-5H,6H-7-oxa-1,4-dithia-3-aza-cyclopenta[c]phenanthren-3-yl)-acetamide
The XLogP value of 4.4481 indicates that N-(4-Chloro-phenyl)-2-(2-oxo-5a,11b-dihydro-5H,6H-7-oxa-1,4-dithia-3-aza-cyclopenta[c]phenanthren-3-yl)-acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.33 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-Chloro-phenyl)-2-(2-oxo-5a,11b-dihydro-5H,6H-7-oxa-1,4-dithia-3-aza-cyclopenta[c]phenanthren-3-yl)-acetamide. Following Lipinski's Rule of Five, N-(4-Chloro-phenyl)-2-(2-oxo-5a,11b-dihydro-5H,6H-7-oxa-1,4-dithia-3-aza-cyclopenta[c]phenanthren-3-yl)-acetamide 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 N-(4-Chloro-phenyl)-2-(2-oxo-5a,11b-dihydro-5H,6H-7-oxa-1,4-dithia-3-aza-cyclopenta[c]phenanthren-3-yl)-acetamide?
The CAS number of N-(4-Chloro-phenyl)-2-(2-oxo-5a,11b-dihydro-5H,6H-7-oxa-1,4-dithia-3-aza-cyclopenta[c]phenanthren-3-yl)-acetamide is 850189-80-9.
What is the molecular formula of N-(4-Chloro-phenyl)-2-(2-oxo-5a,11b-dihydro-5H,6H-7-oxa-1,4-dithia-3-aza-cyclopenta[c]phenanthren-3-yl)-acetamide?
The molecular formula of N-(4-Chloro-phenyl)-2-(2-oxo-5a,11b-dihydro-5H,6H-7-oxa-1,4-dithia-3-aza-cyclopenta[c]phenanthren-3-yl)-acetamide is C21H17ClN2O3S2.
What is the molecular weight of N-(4-Chloro-phenyl)-2-(2-oxo-5a,11b-dihydro-5H,6H-7-oxa-1,4-dithia-3-aza-cyclopenta[c]phenanthren-3-yl)-acetamide?
The molecular weight of N-(4-Chloro-phenyl)-2-(2-oxo-5a,11b-dihydro-5H,6H-7-oxa-1,4-dithia-3-aza-cyclopenta[c]phenanthren-3-yl)-acetamide is 444.04 g/mol.
Where can I buy N-(4-Chloro-phenyl)-2-(2-oxo-5a,11b-dihydro-5H,6H-7-oxa-1,4-dithia-3-aza-cyclopenta[c]phenanthren-3-yl)-acetamide?
You can request a quote for N-(4-Chloro-phenyl)-2-(2-oxo-5a,11b-dihydro-5H,6H-7-oxa-1,4-dithia-3-aza-cyclopenta[c]phenanthren-3-yl)-acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-Chloro-phenyl)-2-(2-oxo-5a,11b-dihydro-5H,6H-7-oxa-1,4-dithia-3-aza-cyclopenta[c]phenanthren-3-yl)-acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-Chloro-phenyl)-2-(2-oxo-5a,11b-dihydro-5H,6H-7-oxa-1,4-dithia-3-aza-cyclopenta[c]phenanthren-3-yl)-acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.