ChemDiv1_005457
TL;DR: ChemDiv1_005457 (CAS 328017-36-3) is a chemical compound with molecular formula C14H10BrN5O2S2 and molecular weight 422.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-3-methyl-6-[(6-nitro-1H-benzimidazol-2-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole
Also Known As: ChemDiv1_005457, 5-bromo-3-methyl-6-(((5-nitro-1H-benzo[d]imidazol-2-yl)thio)methyl)imidazo[2,1-b]thiazole, 2-[({5-BROMO-3-METHYLIMIDAZO[2,1-B][1,3]THIAZOL-6-YL}METHYL)SULFANYL]-5-NITRO-1H-1,3-BENZODIAZOLE, 2-{[(5-bromo-3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]sulfanyl}-5-nitro-1H-benzimidazole, 5-bromo-3-methyl-6-[(6-nitro-1H-benzimidazol-2-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole
| Molecular Formula | C14H10BrN5O2S2 |
|---|---|
| Molecular Weight | 422.95 g/mol |
| LogP | 4.54352 |
| Topological Polar Surface Area | 89.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 422.94592 |
| Heavy Atoms | 24 |
| Complexity | 1083.8475 |
Chemical Identifiers
| CAS Number | 328017-36-3 |
|---|---|
| SMILES | CC1=CSC2=NC(=C(N12)Br)CSC3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-] |
Product Overview
ChemDiv1_005457 (CAS 328017-36-3), with molecular formula C14H10BrN5O2S2 and molecular weight 422.95 g/mol. IUPAC: 5-bromo-3-methyl-6-[(6-nitro-1H-benzimidazol-2-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole.
Chemical Property Profile of ChemDiv1_005457
Property Insights of ChemDiv1_005457
The XLogP value of 4.54352 indicates that ChemDiv1_005457 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.12 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_005457. Following Lipinski's Rule of Five, ChemDiv1_005457 has 1 hydrogen bond donor(s) and 6 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 ChemDiv1_005457?
The CAS number of ChemDiv1_005457 is 328017-36-3.
What is the molecular formula of ChemDiv1_005457?
The molecular formula of ChemDiv1_005457 is C14H10BrN5O2S2.
What is the molecular weight of ChemDiv1_005457?
The molecular weight of ChemDiv1_005457 is 422.95 g/mol.
Where can I buy ChemDiv1_005457?
You can request a quote for ChemDiv1_005457 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005457?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005457 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.