ChemDiv1_005545
TL;DR: ChemDiv1_005545 (CAS 328017-38-5) is a chemical compound with molecular formula C14H9BrN4O2S3 and molecular weight 439.91 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]-5-nitro-1,3-benzothiazole
Also Known As: ChemDiv1_005545, 2-(((5-bromo-3-methylimidazo[2,1-b]thiazol-6-yl)methyl)thio)-5-nitrobenzo[d]thiazole, F1001-0036, 2-[({5-BROMO-3-METHYLIMIDAZO[2,1-B][1,3]THIAZOL-6-YL}METHYL)SULFANYL]-5-NITRO-1,3-BENZOTHIAZOLE, 2-[(5-bromo-3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methylsulfanyl]-5-nitro-1,3-benzothiazole
| Molecular Formula | C14H9BrN4O2S3 |
|---|---|
| Molecular Weight | 439.91 g/mol |
| LogP | 5.27692 |
| Topological Polar Surface Area | 73.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 439.9071 |
| Heavy Atoms | 24 |
| Complexity | 1084.7023 |
Chemical Identifiers
| CAS Number | 328017-38-5 |
|---|---|
| SMILES | CC1=CSC2=NC(=C(N12)Br)CSC3=NC4=C(S3)C=CC(=C4)[N+](=O)[O-] |
Product Overview
ChemDiv1_005545 (CAS 328017-38-5), with molecular formula C14H9BrN4O2S3 and molecular weight 439.91 g/mol. IUPAC: 2-[(5-bromo-3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methylsulfanyl]-5-nitro-1,3-benzothiazole.
Chemical Property Profile of ChemDiv1_005545
Property Insights of ChemDiv1_005545
The XLogP value of 5.27692 indicates that ChemDiv1_005545 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.33 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_005545. Following Lipinski's Rule of Five, ChemDiv1_005545 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 ChemDiv1_005545?
The CAS number of ChemDiv1_005545 is 328017-38-5.
What is the molecular formula of ChemDiv1_005545?
The molecular formula of ChemDiv1_005545 is C14H9BrN4O2S3.
What is the molecular weight of ChemDiv1_005545?
The molecular weight of ChemDiv1_005545 is 439.91 g/mol.
Where can I buy ChemDiv1_005545?
You can request a quote for ChemDiv1_005545 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005545?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005545 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.