1-氯-3-(4-碘-2-甲基-5-硝基-1H-咪唑-1-基)丙-2-醇
TL;DR: 1-氯-3-(4-碘-2-甲基-5-硝基-1H-咪唑-1-基)丙-2-醇 (CAS 16781-81-0) is a chemical compound with molecular formula C7H9ClIN3O3 and molecular weight 344.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-氯-3-(4-碘-2-甲基-5-硝基-1H-咪唑-1-基)丙-2-醇
1-chloro-3-(4-iodo-2-methyl-5-nitroimidazol-1-yl)propan-2-ol
Also Known As: 5-23-05-00088 (Beilstein Handbook Reference), 1-(3-Chloro-2-hydroxypropyl)-4-iodo-2-methyl-5-nitroimidazole, 1H-Imidazole-1-ethanol, alpha-(chloromethyl)-5-iodo-2-methyl-4-nitro-, 1-chloro-3-(4-iodo-2-methyl-5-nitroimidazol-1-yl)propan-2-ol, 1-chloro-3-(4-iodo-2-methyl-5-nitro-1H-imidazol-1-yl)propan-2-ol
| Molecular Formula | C7H9ClIN3O3 |
|---|---|
| Molecular Weight | 344.94 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 83.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 344.9377 |
| Heavy Atoms | 15 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 16781-81-0 |
|---|---|
| SMILES | CC1=NC(=C(N1CC(CCl)O)[N+](=O)[O-])I |
| InChIKey | ZRFRHNXTIRSYSG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-氯-3-(4-碘-2-甲基-5-硝基-1H-咪唑-1-基)丙-2-醇 (CAS 16781-81-0), with molecular formula C7H9ClIN3O3 and molecular weight 344.94 g/mol. IUPAC: 1-chloro-3-(4-iodo-2-methyl-5-nitroimidazol-1-yl)propan-2-ol.
Chemical Property Profile of 1-氯-3-(4-碘-2-甲基-5-硝基-1H-咪唑-1-基)丙-2-醇
Property Insights of 1-氯-3-(4-碘-2-甲基-5-硝基-1H-咪唑-1-基)丙-2-醇
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-氯-3-(4-碘-2-甲基-5-硝基-1H-咪唑-1-基)丙-2-醇. The TPSA of 83.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-氯-3-(4-碘-2-甲基-5-硝基-1H-咪唑-1-基)丙-2-醇. Following Lipinski's Rule of Five, 1-氯-3-(4-碘-2-甲基-5-硝基-1H-咪唑-1-基)丙-2-醇 has 1 hydrogen bond donor(s) and 4 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 1-氯-3-(4-碘-2-甲基-5-硝基-1H-咪唑-1-基)丙-2-醇?
The CAS number of 1-氯-3-(4-碘-2-甲基-5-硝基-1H-咪唑-1-基)丙-2-醇 is 16781-81-0.
What is the molecular formula of 1-氯-3-(4-碘-2-甲基-5-硝基-1H-咪唑-1-基)丙-2-醇?
The molecular formula of 1-氯-3-(4-碘-2-甲基-5-硝基-1H-咪唑-1-基)丙-2-醇 is C7H9ClIN3O3.
What is the molecular weight of 1-氯-3-(4-碘-2-甲基-5-硝基-1H-咪唑-1-基)丙-2-醇?
The molecular weight of 1-氯-3-(4-碘-2-甲基-5-硝基-1H-咪唑-1-基)丙-2-醇 is 344.94 g/mol.
Where can I buy 1-氯-3-(4-碘-2-甲基-5-硝基-1H-咪唑-1-基)丙-2-醇?
You can request a quote for 1-氯-3-(4-碘-2-甲基-5-硝基-1H-咪唑-1-基)丙-2-醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-氯-3-(4-碘-2-甲基-5-硝基-1H-咪唑-1-基)丙-2-醇?
Yes, KEHONG BIO provides custom synthesis services for 1-氯-3-(4-碘-2-甲基-5-硝基-1H-咪唑-1-基)丙-2-醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.