A4041/0172322
TL;DR: A4041/0172322 (CAS 575468-27-8) is a chemical compound with molecular formula C21H17N5S and molecular weight 371.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
15-quinolin-2-yl-9-thia-11,13,14,16-tetrazatetracyclo[8.7.0.02,8.013,17]heptadeca-1(10),2(8),11,14,16-pentaene
Also Known As: A4041/0172322, 2-(quinolin-2-yl)-9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine, 2-(2-QUINOLYL)-9,10,11,12-TETRAHYDRO-8H-CYCLOHEPTA[4,5]THIENO[3,2-E][1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE
| Molecular Formula | C21H17N5S |
|---|---|
| Molecular Weight | 371.12 g/mol |
| LogP | 4.8231 |
| Topological Polar Surface Area | 55.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 371.12045 |
| Heavy Atoms | 27 |
| Complexity | 1316.6678 |
Chemical Identifiers
| CAS Number | 575468-27-8 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC3=C2C4=NC(=NN4C=N3)C5=NC6=CC=CC=C6C=C5 |
Product Overview
A4041/0172322 (CAS 575468-27-8), with molecular formula C21H17N5S and molecular weight 371.12 g/mol. IUPAC: 15-quinolin-2-yl-9-thia-11,13,14,16-tetrazatetracyclo[8.7.0.02,8.013,17]heptadeca-1(10),2(8),11,14,16-pentaene.
Chemical Property Profile of A4041/0172322
Property Insights of A4041/0172322
The XLogP value of 4.8231 indicates that A4041/0172322 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.97 Ų, A4041/0172322 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A4041/0172322 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 A4041/0172322?
The CAS number of A4041/0172322 is 575468-27-8.
What is the molecular formula of A4041/0172322?
The molecular formula of A4041/0172322 is C21H17N5S.
What is the molecular weight of A4041/0172322?
The molecular weight of A4041/0172322 is 371.12 g/mol.
Where can I buy A4041/0172322?
You can request a quote for A4041/0172322 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4041/0172322?
Yes, KEHONG BIO provides custom synthesis services for A4041/0172322 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.