RefChem:344299
TL;DR: RefChem:344299 (CAS 72083-55-7) is a chemical compound with molecular formula C9H9BrN4O4S and molecular weight 347.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-(5-bromo-4-methyl-6-nitropyrrolo[3,2-d][1,3]thiazol-2-yl)carbamate
Also Known As: Ethyl 5-bromo-6-(hydroxy(oxido)amino)-4-methyl-4H-pyrrolo(3,2-d)(1,3)thiazol-2-ylcarbamate, ethyl N-(5-bromo-4-methyl-6-nitropyrrolo[3,2-d][1,3]thiazol-, Ethyl 5-bromo-4-methyl-6-nitro-4H-pyrrolo[3,2-d]thiazol-2-ylcarbamate, ethyl N-(5-bromo-4-methyl-6-nitro-pyrrolo[3,2-d]thiazol-2-yl)carbamate, Ethyl (5-bromo-4-methyl-6-nitro-4H-pyrrolo[3,2-d][1,3]thiazol-2-yl)carbamate
| Molecular Formula | C9H9BrN4O4S |
|---|---|
| Molecular Weight | 347.95 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 347.9528 |
| Heavy Atoms | 19 |
| Complexity | 382.0 |
Chemical Identifiers
| CAS Number | 72083-55-7 |
|---|---|
| SMILES | CCOC(=O)NC1=NC2=C(S1)N(C(=C2[N+](=O)[O-])Br)C |
| InChIKey | SNGZOPHWIPOBKM-UHFFFAOYSA-N |
Product Overview
RefChem:344299 (CAS 72083-55-7), with molecular formula C9H9BrN4O4S and molecular weight 347.95 g/mol. IUPAC: ethyl N-(5-bromo-4-methyl-6-nitropyrrolo[3,2-d][1,3]thiazol-2-yl)carbamate.
Chemical Property Profile of RefChem:344299
Property Insights of RefChem:344299
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:344299. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:344299. Following Lipinski's Rule of Five, RefChem:344299 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 RefChem:344299?
The CAS number of RefChem:344299 is 72083-55-7.
What is the molecular formula of RefChem:344299?
The molecular formula of RefChem:344299 is C9H9BrN4O4S.
What is the molecular weight of RefChem:344299?
The molecular weight of RefChem:344299 is 347.95 g/mol.
Where can I buy RefChem:344299?
You can request a quote for RefChem:344299 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:344299?
Yes, KEHONG BIO provides custom synthesis services for RefChem:344299 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.