A3760/0159449
TL;DR: A3760/0159449 (CAS 673495-79-9) is a chemical compound with molecular formula C21H25N3O4S and molecular weight 415.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzodioxol-5-yl)-1-(2,2-dimethyloxan-4-yl)-3-methyl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
Also Known As: A3760/0159449, 4-(1,3-benzodioxol-5-yl)-1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one, 4-(1,3-benzodioxol-5-yl)-1-(2,2-dimethyloxan-4-yl)-3-methyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one, 4-(1,3-benzodioxol-5-yl)-1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-methyl-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol, 4-(Benzo[d][1,3]dioxol-5-yl)-1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
| Molecular Formula | C21H25N3O4S |
|---|---|
| Molecular Weight | 415.16 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 99.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 415.1566 |
| Heavy Atoms | 29 |
| Complexity | 635.0 |
Chemical Identifiers
| CAS Number | 673495-79-9 |
|---|---|
| SMILES | CC1=NN(C2=C1C(SCC(=O)N2)C3=CC4=C(C=C3)OCO4)C5CCOC(C5)(C)C |
| InChIKey | LDWFOVNOWKVAII-UHFFFAOYSA-N |
Product Overview
A3760/0159449 (CAS 673495-79-9), with molecular formula C21H25N3O4S and molecular weight 415.16 g/mol. IUPAC: 4-(1,3-benzodioxol-5-yl)-1-(2,2-dimethyloxan-4-yl)-3-methyl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one.
Chemical Property Profile of A3760/0159449
Property Insights of A3760/0159449
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3760/0159449. The TPSA of 99.9 Ų falls within the moderate polarity range, balancing permeability and solubility for A3760/0159449. Following Lipinski's Rule of Five, A3760/0159449 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 A3760/0159449?
The CAS number of A3760/0159449 is 673495-79-9.
What is the molecular formula of A3760/0159449?
The molecular formula of A3760/0159449 is C21H25N3O4S.
What is the molecular weight of A3760/0159449?
The molecular weight of A3760/0159449 is 415.16 g/mol.
Where can I buy A3760/0159449?
You can request a quote for A3760/0159449 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3760/0159449?
Yes, KEHONG BIO provides custom synthesis services for A3760/0159449 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.