A3913/0166423
TL;DR: A3913/0166423 (CAS 384798-47-4) is a chemical compound with molecular formula C18H19N5S and molecular weight 337.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
14-(2-methylpropyl)-11-thia-3,5,6,8,13-pentazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,6,8,13,15(20)-heptaene
Also Known As: A3913/0166423, 11-(2-Methylpropyl)-7,8,9,10-tetrahydro[1,2,4]-triazolo[1'',5'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]-isoquinoline, 11-(2-methylpropyl)-7,8,9,10-tetrahydro[1,2,4]triazolo[1'',5'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline, 11-isobutyl-7,8,9,10-tetrahydro-[1,2,4]triazolo[1'',5'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline, 11-isobutyl-7,8,9,10-tetrahydro[1,2,4]triazolo[5'',1'':6',1']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
| Molecular Formula | C18H19N5S |
|---|---|
| Molecular Weight | 337.14 g/mol |
| LogP | 3.9645 |
| Topological Polar Surface Area | 55.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 337.1361 |
| Heavy Atoms | 24 |
| Complexity | 1075.5269 |
Chemical Identifiers
| CAS Number | 384798-47-4 |
|---|---|
| SMILES | CC(C)CC1=NC2=C(C3=C1CCCC3)C4=C(S2)C5=NC=NN5C=N4 |
Product Overview
A3913/0166423 (CAS 384798-47-4), with molecular formula C18H19N5S and molecular weight 337.14 g/mol. IUPAC: 14-(2-methylpropyl)-11-thia-3,5,6,8,13-pentazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,6,8,13,15(20)-heptaene.
Chemical Property Profile of A3913/0166423
Property Insights of A3913/0166423
The XLogP value of 3.9645 indicates that A3913/0166423 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.97 Ų, A3913/0166423 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A3913/0166423 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 A3913/0166423?
The CAS number of A3913/0166423 is 384798-47-4.
What is the molecular formula of A3913/0166423?
The molecular formula of A3913/0166423 is C18H19N5S.
What is the molecular weight of A3913/0166423?
The molecular weight of A3913/0166423 is 337.14 g/mol.
Where can I buy A3913/0166423?
You can request a quote for A3913/0166423 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3913/0166423?
Yes, KEHONG BIO provides custom synthesis services for A3913/0166423 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.