AB01303641-01
TL;DR: AB01303641-01 (CAS 577697-74-6) is a chemical compound with molecular formula C18H20BrN5O2 and molecular weight 417.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(3-bromophenyl)methyl]-1,3-dimethyl-8-pyrrolidin-1-ylpurine-2,6-dione
Also Known As: AB01303641-01, 7-(3-bromobenzyl)-1,3-dimethyl-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione, 7-[(3-bromophenyl)methyl]-1,3-dimethyl-8-pyrrolidin-1-ylpurine-2,6-dione, 7-(3-bromobenzyl)-1,3-dimethyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C18H20BrN5O2 |
|---|---|
| Molecular Weight | 417.08 g/mol |
| LogP | 1.8447 |
| Topological Polar Surface Area | 65.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 417.08005 |
| Heavy Atoms | 26 |
| Complexity | 1105.1925 |
Chemical Identifiers
| CAS Number | 577697-74-6 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCC3)CC4=CC(=CC=C4)Br |
Product Overview
AB01303641-01 (CAS 577697-74-6), with molecular formula C18H20BrN5O2 and molecular weight 417.08 g/mol. IUPAC: 7-[(3-bromophenyl)methyl]-1,3-dimethyl-8-pyrrolidin-1-ylpurine-2,6-dione.
Chemical Property Profile of AB01303641-01
Property Insights of AB01303641-01
The XLogP value of 1.8447 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB01303641-01. The TPSA of 65.06 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01303641-01. Following Lipinski's Rule of Five, AB01303641-01 has 0 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 AB01303641-01?
The CAS number of AB01303641-01 is 577697-74-6.
What is the molecular formula of AB01303641-01?
The molecular formula of AB01303641-01 is C18H20BrN5O2.
What is the molecular weight of AB01303641-01?
The molecular weight of AB01303641-01 is 417.08 g/mol.
Where can I buy AB01303641-01?
You can request a quote for AB01303641-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01303641-01?
Yes, KEHONG BIO provides custom synthesis services for AB01303641-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.