ChemDiv1_000472
TL;DR: ChemDiv1_000472 (CAS 313274-39-4) is a chemical compound with molecular formula C14H10BrN3S3 and molecular weight 394.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-bromo-3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methylsulfanyl]-1,3-benzothiazole
Also Known As: ChemDiv1_000472, 2-(((5-bromo-3-methylimidazo[2,1-b]thiazol-6-yl)methyl)thio)benzo[d]thiazole, 2-[(5-bromo-3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methylsulfanyl]-1,3-benzothiazole, 2-{[(5-bromo-3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]sulfanyl}-1,3-benzothiazole
| Molecular Formula | C14H10BrN3S3 |
|---|---|
| Molecular Weight | 394.92 g/mol |
| LogP | 5.36872 |
| Topological Polar Surface Area | 30.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 394.92203 |
| Heavy Atoms | 21 |
| Complexity | 904.5501 |
Chemical Identifiers
| CAS Number | 313274-39-4 |
|---|---|
| SMILES | CC1=CSC2=NC(=C(N12)Br)CSC3=NC4=CC=CC=C4S3 |
Product Overview
ChemDiv1_000472 (CAS 313274-39-4), with molecular formula C14H10BrN3S3 and molecular weight 394.92 g/mol. IUPAC: 2-[(5-bromo-3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methylsulfanyl]-1,3-benzothiazole.
Chemical Property Profile of ChemDiv1_000472
Property Insights of ChemDiv1_000472
The XLogP value of 5.36872 indicates that ChemDiv1_000472 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.19 Ų, ChemDiv1_000472 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_000472 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 ChemDiv1_000472?
The CAS number of ChemDiv1_000472 is 313274-39-4.
What is the molecular formula of ChemDiv1_000472?
The molecular formula of ChemDiv1_000472 is C14H10BrN3S3.
What is the molecular weight of ChemDiv1_000472?
The molecular weight of ChemDiv1_000472 is 394.92 g/mol.
Where can I buy ChemDiv1_000472?
You can request a quote for ChemDiv1_000472 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_000472?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_000472 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.