6-Benzylamino-7-deazapurine
TL;DR: 6-Benzylamino-7-deazapurine (CAS 60972-04-5) is a chemical compound with molecular formula C13H12N4 and molecular weight 224.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Also Known As: 6-Benzylamino-7-deazapurine, N-benzyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine, 6-benzylamino-7-deazapurine, AldrichCPR, 4-(benzylamino)-pyrrolo[2,3-d]pyrimidine, 4-Benzylamino-1H-pyrrole[2,3-d]pyrimidine
| Molecular Formula | C13H12N4 |
|---|---|
| Molecular Weight | 224.11 g/mol |
| LogP | 2.57 |
| Topological Polar Surface Area | 53.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 224.1062 |
| Heavy Atoms | 17 |
| Complexity | 615.4106 |
Chemical Identifiers
| CAS Number | 60972-04-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC2=NC=NC3=C2C=CN3 |
Product Overview
6-Benzylamino-7-deazapurine (CAS 60972-04-5), with molecular formula C13H12N4 and molecular weight 224.11 g/mol. IUPAC: N-benzyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
Chemical Property Profile of 6-Benzylamino-7-deazapurine
Property Insights of 6-Benzylamino-7-deazapurine
The XLogP value of 2.57 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Benzylamino-7-deazapurine. With a topological polar surface area (TPSA) of 53.6 Ų, 6-Benzylamino-7-deazapurine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Benzylamino-7-deazapurine has 2 hydrogen bond donor(s) and 3 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 6-Benzylamino-7-deazapurine?
The CAS number of 6-Benzylamino-7-deazapurine is 60972-04-5.
What is the molecular formula of 6-Benzylamino-7-deazapurine?
The molecular formula of 6-Benzylamino-7-deazapurine is C13H12N4.
What is the molecular weight of 6-Benzylamino-7-deazapurine?
The molecular weight of 6-Benzylamino-7-deazapurine is 224.11 g/mol.
Where can I buy 6-Benzylamino-7-deazapurine?
You can request a quote for 6-Benzylamino-7-deazapurine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Benzylamino-7-deazapurine?
Yes, KEHONG BIO provides custom synthesis services for 6-Benzylamino-7-deazapurine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.