A3599/0152464
TL;DR: A3599/0152464 (CAS 488130-55-8) 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.
14-tert-butyl-5-methyl-11-thia-3,6,7,9-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,5,8,12(17)-pentaen-4-one
Also Known As: A3599/0152464, 10-(tert-butyl)-3-methyl-9,10,11,12-tetrahydro-2H-benzo[4',5']thieno[2',3':4,5]pyrimido[1,6-b][1,2,4]triazin-2-one, 10-tert-butyl-3-methyl-9,10,11,12-tetrahydro-2H-[1]benzothieno[2',3':4,5]pyrimido[1,6-b][1,2,4]triazin-2-one, 10-(TERT-BUTYL)-3-METHYL-9,10,11,12-TETRAHYDRO-2H-[1]BENZOTHIENO[2',3':4,5]PYRIMIDO[1,6-B][1,2,4]TRIAZIN-2-ONE
| Molecular Formula | C17H20N4OS |
|---|---|
| Molecular Weight | 328.14 g/mol |
| LogP | 3.15862 |
| Topological Polar Surface Area | 60.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 328.13577 |
| Heavy Atoms | 23 |
| Complexity | 980.0618 |
Chemical Identifiers
| CAS Number | 488130-55-8 |
|---|---|
| SMILES | CC1=NN2C=NC3=C(C2=NC1=O)C4=C(S3)CC(CC4)C(C)(C)C |
Product Overview
A3599/0152464 (CAS 488130-55-8), with molecular formula C17H20N4OS and molecular weight 328.14 g/mol. IUPAC: 14-tert-butyl-5-methyl-11-thia-3,6,7,9-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,5,8,12(17)-pentaen-4-one.
Chemical Property Profile of A3599/0152464
Property Insights of A3599/0152464
The XLogP value of 3.15862 indicates that A3599/0152464 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.15 Ų falls within the moderate polarity range, balancing permeability and solubility for A3599/0152464. Following Lipinski's Rule of Five, A3599/0152464 has 0 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 A3599/0152464?
The CAS number of A3599/0152464 is 488130-55-8.
What is the molecular formula of A3599/0152464?
The molecular formula of A3599/0152464 is C17H20N4OS.
What is the molecular weight of A3599/0152464?
The molecular weight of A3599/0152464 is 328.14 g/mol.
Where can I buy A3599/0152464?
You can request a quote for A3599/0152464 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3599/0152464?
Yes, KEHONG BIO provides custom synthesis services for A3599/0152464 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.