ChemDiv2_004020
TL;DR: ChemDiv2_004020 (CAS 351007-74-4) is a chemical compound with molecular formula C17H20N4OS and molecular weight 328.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-cyclohexyl-3-methyl-15-thia-2,4,5,7-tetrazatetracyclo[7.6.0.02,6.010,14]pentadeca-1(9),3,5,10(14)-tetraen-8-one
Also Known As: ChemDiv2_004020, IDI1_002735, 4-cyclohexyl-1-methyl-7,8-dihydro-4H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-one, 4-cyclohexyl-1-methyl-7,8-dihydro-6H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one, 7-CYCLOHEXYL-3-METHYL-15-THIA-2,4,5,7-TETRAAZATETRACYCLO[7.6.0.0(2),?.0(1)?,(1)?]PENTADECA-1(9),3,5,10(14)-TETRAEN-8-ONE
| Molecular Formula | C17H20N4OS |
|---|---|
| Molecular Weight | 328.14 g/mol |
| LogP | 3.40802 |
| Topological Polar Surface Area | 52.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 328.13577 |
| Heavy Atoms | 23 |
| Complexity | 974.2 |
Chemical Identifiers
| CAS Number | 351007-74-4 |
|---|---|
| SMILES | CC1=NN=C2N1C3=C(C4=C(S3)CCC4)C(=O)N2C5CCCCC5 |
Product Overview
ChemDiv2_004020 (CAS 351007-74-4), with molecular formula C17H20N4OS and molecular weight 328.14 g/mol. IUPAC: 7-cyclohexyl-3-methyl-15-thia-2,4,5,7-tetrazatetracyclo[7.6.0.02,6.010,14]pentadeca-1(9),3,5,10(14)-tetraen-8-one.
Chemical Property Profile of ChemDiv2_004020
Property Insights of ChemDiv2_004020
The XLogP value of 3.40802 indicates that ChemDiv2_004020 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.19 Ų, ChemDiv2_004020 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv2_004020 has 0 hydrogen bond donor(s) and 4 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_004020?
The CAS number of ChemDiv2_004020 is 351007-74-4.
What is the molecular formula of ChemDiv2_004020?
The molecular formula of ChemDiv2_004020 is C17H20N4OS.
What is the molecular weight of ChemDiv2_004020?
The molecular weight of ChemDiv2_004020 is 328.14 g/mol.
Where can I buy ChemDiv2_004020?
You can request a quote for ChemDiv2_004020 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_004020?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_004020 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.