A2644/0112625
TL;DR: A2644/0112625 (CAS 442873-54-3) is a chemical compound with molecular formula C22H19BrN6O2S and molecular weight 510.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]sulfanyl-1,3,7-trimethylpurine-2,6-dione
Also Known As: A2644/0112625, 8-{[1-(3-bromobenzyl)-1H-benzimidazol-2-yl]sulfanyl}-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione, 8-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]sulfanyl-1,3,7-trimethylpurine-2,6-dione, 8-((1-(3-bromobenzyl)-1H-benzo[d]imidazol-2-yl)thio)-1,3,7-trimethyl-1H-purine-2,6(3H,7H)-dione, 8-({1-[(3-BROMOPHENYL)METHYL]-1H-1,3-BENZODIAZOL-2-YL}SULFANYL)-1,3,7-TRIMETHYL-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE
| Molecular Formula | C22H19BrN6O2S |
|---|---|
| Molecular Weight | 510.05 g/mol |
| LogP | 3.2824 |
| Topological Polar Surface Area | 79.64 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 510.04736 |
| Heavy Atoms | 32 |
| Complexity | 1627.8 |
Chemical Identifiers
| CAS Number | 442873-54-3 |
|---|---|
| SMILES | CN1C2=C(N=C1SC3=NC4=CC=CC=C4N3CC5=CC(=CC=C5)Br)N(C(=O)N(C2=O)C)C |
Product Overview
A2644/0112625 (CAS 442873-54-3), with molecular formula C22H19BrN6O2S and molecular weight 510.05 g/mol. IUPAC: 8-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]sulfanyl-1,3,7-trimethylpurine-2,6-dione.
Chemical Property Profile of A2644/0112625
Property Insights of A2644/0112625
The XLogP value of 3.2824 indicates that A2644/0112625 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.64 Ų falls within the moderate polarity range, balancing permeability and solubility for A2644/0112625. Following Lipinski's Rule of Five, A2644/0112625 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A2644/0112625?
The CAS number of A2644/0112625 is 442873-54-3.
What is the molecular formula of A2644/0112625?
The molecular formula of A2644/0112625 is C22H19BrN6O2S.
What is the molecular weight of A2644/0112625?
The molecular weight of A2644/0112625 is 510.05 g/mol.
Where can I buy A2644/0112625?
You can request a quote for A2644/0112625 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2644/0112625?
Yes, KEHONG BIO provides custom synthesis services for A2644/0112625 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.