A4094/0174560
TL;DR: A4094/0174560 (CAS 846582-50-1) is a chemical compound with molecular formula C25H28N6O2S2 and molecular weight 508.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethyl-15-methylsulfanyl-8-morpholin-4-yl-N-(pyridin-3-ylmethyl)-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine
Also Known As: A4094/0174560, 2,2-dimethyl-10-(methylsulfanyl)-5-(morpholin-4-yl)-N-(pyridin-3-ylmethyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-amine, 2,2-dimethyl-10-(methylthio)-5-morpholino-N-(pyridin-3-ylmethyl)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-amine, N-[2,2-dimethyl-10-(methylsulfanyl)-5-morpholino-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]-N-(3-pyridylmethyl)amine
| Molecular Formula | C25H28N6O2S2 |
|---|---|
| Molecular Weight | 508.17 g/mol |
| LogP | 4.6564 |
| Topological Polar Surface Area | 85.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 508.1715 |
| Heavy Atoms | 35 |
| Complexity | 1385.7476 |
Chemical Identifiers
| CAS Number | 846582-50-1 |
|---|---|
| SMILES | CC1(CC2=C(CO1)C(=NC3=C2C4=C(S3)C(=NC(=N4)SC)NCC5=CN=CC=C5)N6CCOCC6)C |
Product Overview
A4094/0174560 (CAS 846582-50-1), with molecular formula C25H28N6O2S2 and molecular weight 508.17 g/mol. IUPAC: 4,4-dimethyl-15-methylsulfanyl-8-morpholin-4-yl-N-(pyridin-3-ylmethyl)-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine.
Chemical Property Profile of A4094/0174560
Property Insights of A4094/0174560
The XLogP value of 4.6564 indicates that A4094/0174560 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.29 Ų falls within the moderate polarity range, balancing permeability and solubility for A4094/0174560. Following Lipinski's Rule of Five, A4094/0174560 has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A4094/0174560?
The CAS number of A4094/0174560 is 846582-50-1.
What is the molecular formula of A4094/0174560?
The molecular formula of A4094/0174560 is C25H28N6O2S2.
What is the molecular weight of A4094/0174560?
The molecular weight of A4094/0174560 is 508.17 g/mol.
Where can I buy A4094/0174560?
You can request a quote for A4094/0174560 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4094/0174560?
Yes, KEHONG BIO provides custom synthesis services for A4094/0174560 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.