9-Benzyl-8-bromoadenine
TL;DR: 9-Benzyl-8-bromoadenine (CAS 56046-34-5) is a chemical compound with molecular formula C12H10BrN5 and molecular weight 303.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-benzyl-8-bromopurin-6-amine
Also Known As: 9-benzyl-8-bromoadenine, 8-bromo-9-benzyladenine, N9-benzyl-8-bromoadenine, 8-Bromo-N9-benzyladenine, 9-Benzyl-8-bromo-9H-adenine
| Molecular Formula | C12H10BrN5 |
|---|---|
| Molecular Weight | 303.01 g/mol |
| LogP | 2.2193 |
| Topological Polar Surface Area | 69.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 303.01196 |
| Heavy Atoms | 18 |
| Complexity | 692.2592 |
Chemical Identifiers
| CAS Number | 56046-34-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C3=NC=NC(=C3N=C2Br)N |
Product Overview
9-Benzyl-8-bromoadenine (CAS 56046-34-5), with molecular formula C12H10BrN5 and molecular weight 303.01 g/mol. IUPAC: 9-benzyl-8-bromopurin-6-amine.
Chemical Property Profile of 9-Benzyl-8-bromoadenine
Property Insights of 9-Benzyl-8-bromoadenine
The XLogP value of 2.2193 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Benzyl-8-bromoadenine. The TPSA of 69.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-Benzyl-8-bromoadenine. Following Lipinski's Rule of Five, 9-Benzyl-8-bromoadenine has 1 hydrogen bond donor(s) and 4 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 9-Benzyl-8-bromoadenine?
The CAS number of 9-Benzyl-8-bromoadenine is 56046-34-5.
What is the molecular formula of 9-Benzyl-8-bromoadenine?
The molecular formula of 9-Benzyl-8-bromoadenine is C12H10BrN5.
What is the molecular weight of 9-Benzyl-8-bromoadenine?
The molecular weight of 9-Benzyl-8-bromoadenine is 303.01 g/mol.
Where can I buy 9-Benzyl-8-bromoadenine?
You can request a quote for 9-Benzyl-8-bromoadenine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Benzyl-8-bromoadenine?
Yes, KEHONG BIO provides custom synthesis services for 9-Benzyl-8-bromoadenine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.