BRD-K55863957-001-01-1
TL;DR: BRD-K55863957-001-01-1 (CAS 705254-04-2) is a chemical compound with molecular formula C21H16N6S3 and molecular weight 448.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-7-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-phenyl-[1,3]thiazolo[4,5-d]pyrimidine-2-thione
Also Known As: BRD-K55863957-001-01-1, 5-Methyl-7-((4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-3-phenylthiazolo[4,5-d]pyrimidine-2(3H)-thione, 5-methyl-7-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-phenyl-[1,3]thiazolo[4,5-d]pyrimidine-2-thione
| Molecular Formula | C21H16N6S3 |
|---|---|
| Molecular Weight | 448.06 g/mol |
| LogP | 5.46661 |
| Topological Polar Surface Area | 61.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 448.05984 |
| Heavy Atoms | 30 |
| Complexity | 1403.7448 |
Chemical Identifiers
| CAS Number | 705254-04-2 |
|---|---|
| SMILES | CC1=NC2=C(C(=N1)SC3=NN=C(N3C)C4=CC=CC=C4)SC(=S)N2C5=CC=CC=C5 |
Product Overview
BRD-K55863957-001-01-1 (CAS 705254-04-2), with molecular formula C21H16N6S3 and molecular weight 448.06 g/mol. IUPAC: 5-methyl-7-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-phenyl-[1,3]thiazolo[4,5-d]pyrimidine-2-thione.
Chemical Property Profile of BRD-K55863957-001-01-1
Property Insights of BRD-K55863957-001-01-1
The XLogP value of 5.46661 indicates that BRD-K55863957-001-01-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.42 Ų falls within the moderate polarity range, balancing permeability and solubility for BRD-K55863957-001-01-1. Following Lipinski's Rule of Five, BRD-K55863957-001-01-1 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BRD-K55863957-001-01-1?
The CAS number of BRD-K55863957-001-01-1 is 705254-04-2.
What is the molecular formula of BRD-K55863957-001-01-1?
The molecular formula of BRD-K55863957-001-01-1 is C21H16N6S3.
What is the molecular weight of BRD-K55863957-001-01-1?
The molecular weight of BRD-K55863957-001-01-1 is 448.06 g/mol.
Where can I buy BRD-K55863957-001-01-1?
You can request a quote for BRD-K55863957-001-01-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRD-K55863957-001-01-1?
Yes, KEHONG BIO provides custom synthesis services for BRD-K55863957-001-01-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.