![7-Isopropyl-1-mercapto-4-(4-methoxy-phenyl)-6,9-dihydro-4H,7H-8-oxa-10-thia-2,3,4,10b-tetraaza-cycl openta[a]fluoren-5-one structure](/static/products/371/371133-23-2.png)
7-Isopropyl-1-mercapto-4-(4-methoxy-phenyl)-6,9-dihydro-4H,7H-8-oxa-10-thia-2,3,4,10b-tetraaza-cycl openta[a]fluoren-5-one
TL;DR: 7-Isopropyl-1-mercapto-4-(4-methoxy-phenyl)-6,9-dihydro-4H,7H-8-oxa-10-thia-2,3,4,10b-tetraaza-cycl openta[a]fluoren-5-one (CAS 371133-23-2) is a chemical compound with molecular formula C20H20N4O3S2 and molecular weight 428.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(4-methoxyphenyl)-12-propan-2-yl-3-sulfanylidene-13-oxa-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),5,10(15)-trien-8-one
Also Known As: 7-Isopropyl-1-mercapto-4-(4-methoxy-phenyl)-6,9-dihydro-4H,7H-8-oxa-10-thia-2,3,4,10b-tetraaza-cycl openta[a]fluoren-5-one, 7-isopropyl-1-mercapto-4-(4-methoxyphenyl)-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one, 4-(4-methoxyphenyl)-7-(propan-2-yl)-1-thioxo-2,4,6,9-tetrahydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one
| Molecular Formula | C20H20N4O3S2 |
|---|---|
| Molecular Weight | 428.10 g/mol |
| LogP | 3.86339 |
| Topological Polar Surface Area | 73.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 428.0977 |
| Heavy Atoms | 29 |
| Complexity | 1344.8077 |
Chemical Identifiers
| CAS Number | 371133-23-2 |
|---|---|
| SMILES | CC(C)C1CC2=C(CO1)SC3=C2C(=O)N(C4=NNC(=S)N34)C5=CC=C(C=C5)OC |
Product Overview
7-Isopropyl-1-mercapto-4-(4-methoxy-phenyl)-6,9-dihydro-4H,7H-8-oxa-10-thia-2,3,4,10b-tetraaza-cycl openta[a]fluoren-5-one (CAS 371133-23-2), with molecular formula C20H20N4O3S2 and molecular weight 428.10 g/mol. IUPAC: 7-(4-methoxyphenyl)-12-propan-2-yl-3-sulfanylidene-13-oxa-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),5,10(15)-trien-8-one.
Chemical Property Profile of 7-Isopropyl-1-mercapto-4-(4-methoxy-phenyl)-6,9-dihydro-4H,7H-8-oxa-10-thia-2,3,4,10b-tetraaza-cycl openta[a]fluoren-5-one
Property Insights of 7-Isopropyl-1-mercapto-4-(4-methoxy-phenyl)-6,9-dihydro-4H,7H-8-oxa-10-thia-2,3,4,10b-tetraaza-cycl openta[a]fluoren-5-one
The XLogP value of 3.86339 indicates that 7-Isopropyl-1-mercapto-4-(4-methoxy-phenyl)-6,9-dihydro-4H,7H-8-oxa-10-thia-2,3,4,10b-tetraaza-cycl openta[a]fluoren-5-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Isopropyl-1-mercapto-4-(4-methoxy-phenyl)-6,9-dihydro-4H,7H-8-oxa-10-thia-2,3,4,10b-tetraaza-cycl openta[a]fluoren-5-one. Following Lipinski's Rule of Five, 7-Isopropyl-1-mercapto-4-(4-methoxy-phenyl)-6,9-dihydro-4H,7H-8-oxa-10-thia-2,3,4,10b-tetraaza-cycl openta[a]fluoren-5-one 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 7-Isopropyl-1-mercapto-4-(4-methoxy-phenyl)-6,9-dihydro-4H,7H-8-oxa-10-thia-2,3,4,10b-tetraaza-cycl openta[a]fluoren-5-one?
The CAS number of 7-Isopropyl-1-mercapto-4-(4-methoxy-phenyl)-6,9-dihydro-4H,7H-8-oxa-10-thia-2,3,4,10b-tetraaza-cycl openta[a]fluoren-5-one is 371133-23-2.
What is the molecular formula of 7-Isopropyl-1-mercapto-4-(4-methoxy-phenyl)-6,9-dihydro-4H,7H-8-oxa-10-thia-2,3,4,10b-tetraaza-cycl openta[a]fluoren-5-one?
The molecular formula of 7-Isopropyl-1-mercapto-4-(4-methoxy-phenyl)-6,9-dihydro-4H,7H-8-oxa-10-thia-2,3,4,10b-tetraaza-cycl openta[a]fluoren-5-one is C20H20N4O3S2.
What is the molecular weight of 7-Isopropyl-1-mercapto-4-(4-methoxy-phenyl)-6,9-dihydro-4H,7H-8-oxa-10-thia-2,3,4,10b-tetraaza-cycl openta[a]fluoren-5-one?
The molecular weight of 7-Isopropyl-1-mercapto-4-(4-methoxy-phenyl)-6,9-dihydro-4H,7H-8-oxa-10-thia-2,3,4,10b-tetraaza-cycl openta[a]fluoren-5-one is 428.10 g/mol.
Where can I buy 7-Isopropyl-1-mercapto-4-(4-methoxy-phenyl)-6,9-dihydro-4H,7H-8-oxa-10-thia-2,3,4,10b-tetraaza-cycl openta[a]fluoren-5-one?
You can request a quote for 7-Isopropyl-1-mercapto-4-(4-methoxy-phenyl)-6,9-dihydro-4H,7H-8-oxa-10-thia-2,3,4,10b-tetraaza-cycl openta[a]fluoren-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Isopropyl-1-mercapto-4-(4-methoxy-phenyl)-6,9-dihydro-4H,7H-8-oxa-10-thia-2,3,4,10b-tetraaza-cycl openta[a]fluoren-5-one?
Yes, KEHONG BIO provides custom synthesis services for 7-Isopropyl-1-mercapto-4-(4-methoxy-phenyl)-6,9-dihydro-4H,7H-8-oxa-10-thia-2,3,4,10b-tetraaza-cycl openta[a]fluoren-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.