B-Raf IN 14
TL;DR: B-Raf IN 14 (CAS 326918-98-3) is a chemical compound with molecular formula C15H14BrN5O3S and molecular weight 423.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[7-[(3-bromophenyl)methyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetamide
Also Known As: B-Raf IN 14, purine-2,6-dione, 25, BAS 00491835, 2-((7-(3-Bromobenzyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetamide, 2-[7-[(3-bromophenyl)methyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetamide
| Molecular Formula | C15H14BrN5O3S |
|---|---|
| Molecular Weight | 423.00 g/mol |
| LogP | 0.8115 |
| Topological Polar Surface Area | 115.77 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 423.00006 |
| Heavy Atoms | 25 |
| Complexity | 1084.9408 |
Chemical Identifiers
| CAS Number | 326918-98-3 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)N)CC3=CC(=CC=C3)Br |
Product Overview
B-Raf IN 14 (CAS 326918-98-3), with molecular formula C15H14BrN5O3S and molecular weight 423.00 g/mol. IUPAC: 2-[7-[(3-bromophenyl)methyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetamide.
Chemical Property Profile of B-Raf IN 14
Property Insights of B-Raf IN 14
The XLogP value of 0.8115 suggests moderate lipophilicity, balancing water solubility and membrane permeability for B-Raf IN 14. The TPSA of 115.77 Ų falls within the moderate polarity range, balancing permeability and solubility for B-Raf IN 14. Following Lipinski's Rule of Five, B-Raf IN 14 has 2 hydrogen bond donor(s) and 5 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 B-Raf IN 14?
The CAS number of B-Raf IN 14 is 326918-98-3.
What is the molecular formula of B-Raf IN 14?
The molecular formula of B-Raf IN 14 is C15H14BrN5O3S.
What is the molecular weight of B-Raf IN 14?
The molecular weight of B-Raf IN 14 is 423.00 g/mol.
Where can I buy B-Raf IN 14?
You can request a quote for B-Raf IN 14 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for B-Raf IN 14?
Yes, KEHONG BIO provides custom synthesis services for B-Raf IN 14 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.