AB01291771-01
TL;DR: AB01291771-01 (CAS 899397-80-9) is a chemical compound with molecular formula C21H24N8S and molecular weight 420.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-benzyl-8-(4-methylpiperazin-1-yl)-16-thia-2,3,4,5,7,13-hexazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,7,10(15)-pentaene
Also Known As: AB01291771-01, 8-benzyl-5-(4-methylpiperazin-1-yl)-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidine
| Molecular Formula | C21H24N8S |
|---|---|
| Molecular Weight | 420.18 g/mol |
| LogP | 2.0441 |
| Topological Polar Surface Area | 65.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 420.18448 |
| Heavy Atoms | 30 |
| Complexity | 1192.1432 |
Chemical Identifiers
| CAS Number | 899397-80-9 |
|---|---|
| SMILES | CN1CCN(CC1)C2=NC3=NN=NN3C4=C2C5=C(S4)CN(CC5)CC6=CC=CC=C6 |
Product Overview
AB01291771-01 (CAS 899397-80-9), with molecular formula C21H24N8S and molecular weight 420.18 g/mol. IUPAC: 13-benzyl-8-(4-methylpiperazin-1-yl)-16-thia-2,3,4,5,7,13-hexazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,7,10(15)-pentaene.
Chemical Property Profile of AB01291771-01
Property Insights of AB01291771-01
The XLogP value of 2.0441 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB01291771-01. The TPSA of 65.69 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01291771-01. Following Lipinski's Rule of Five, AB01291771-01 has 0 hydrogen bond donor(s) and 8 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 AB01291771-01?
The CAS number of AB01291771-01 is 899397-80-9.
What is the molecular formula of AB01291771-01?
The molecular formula of AB01291771-01 is C21H24N8S.
What is the molecular weight of AB01291771-01?
The molecular weight of AB01291771-01 is 420.18 g/mol.
Where can I buy AB01291771-01?
You can request a quote for AB01291771-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01291771-01?
Yes, KEHONG BIO provides custom synthesis services for AB01291771-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.