AB00677999-01
TL;DR: AB00677999-01 (CAS 897619-38-4) is a chemical compound with molecular formula C14H15BrN6O and molecular weight 362.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[6-(4-bromoanilino)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol
Also Known As: AB00677999-01, 2-((6-((4-bromophenyl)amino)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)ethanol, F2031-0967, 2-[[6-(4-bromoanilino)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol, 2-({6-[(4-bromophenyl)amino]-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}amino)ethanol
| Molecular Formula | C14H15BrN6O |
|---|---|
| Molecular Weight | 362.05 g/mol |
| LogP | 2.2736 |
| Topological Polar Surface Area | 87.89 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 362.04907 |
| Heavy Atoms | 22 |
| Complexity | 785.87744 |
Chemical Identifiers
| CAS Number | 897619-38-4 |
|---|---|
| SMILES | CN1C2=NC(=NC(=C2C=N1)NCCO)NC3=CC=C(C=C3)Br |
Product Overview
AB00677999-01 (CAS 897619-38-4), with molecular formula C14H15BrN6O and molecular weight 362.05 g/mol. IUPAC: 2-[[6-(4-bromoanilino)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol.
Chemical Property Profile of AB00677999-01
Property Insights of AB00677999-01
The XLogP value of 2.2736 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00677999-01. The TPSA of 87.89 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00677999-01. Following Lipinski's Rule of Five, AB00677999-01 has 3 hydrogen bond donor(s) and 6 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 AB00677999-01?
The CAS number of AB00677999-01 is 897619-38-4.
What is the molecular formula of AB00677999-01?
The molecular formula of AB00677999-01 is C14H15BrN6O.
What is the molecular weight of AB00677999-01?
The molecular weight of AB00677999-01 is 362.05 g/mol.
Where can I buy AB00677999-01?
You can request a quote for AB00677999-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00677999-01?
Yes, KEHONG BIO provides custom synthesis services for AB00677999-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.