RefChem:1053386
TL;DR: RefChem:1053386 (CAS 81786-35-8) is a chemical compound with molecular formula C11H21Cl2N3O5 and molecular weight 345.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,3aR,6S,6aS)-3-(4-methylpiperazin-1-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate;dihydrochloride
Also Known As: 1,4:3,6-Dianhydro-2-deoxy-2-(4-methyl-1-piperazinyl)-L-iditol 5-nitrate hydrochloride, 5-(4-Methylpiperazino)-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat-hydrochlorid [German], L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-methyl-1-piperazinyl)-, 5-nitrate, hydrochloride, 5-(4-Methylpiperazino)-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat-hydrochlorid, 1,4:3,6-Dianhydro-2-deoxy-2-(4-methylpiperazin-1-yl)-5-O-nitrohexitol--hydrogen chloride (1/2)
| Molecular Formula | C11H21Cl2N3O5 |
|---|---|
| Molecular Weight | 345.09 g/mol |
| LogP | -0.1795 |
| Topological Polar Surface Area | 77.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 345.08582 |
| Heavy Atoms | 21 |
| Complexity | 356.7504 |
Chemical Identifiers
| CAS Number | 81786-35-8 |
|---|---|
| SMILES | CN1CCN(CC1)[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3O[N+](=O)[O-].Cl.Cl |
Product Overview
RefChem:1053386 (CAS 81786-35-8), with molecular formula C11H21Cl2N3O5 and molecular weight 345.09 g/mol. IUPAC: [(3S,3aR,6S,6aS)-3-(4-methylpiperazin-1-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate;dihydrochloride.
Chemical Property Profile of RefChem:1053386
Property Insights of RefChem:1053386
The XLogP value of -0.1795 indicates that RefChem:1053386 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 77.31 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1053386. Following Lipinski's Rule of Five, RefChem:1053386 has 0 hydrogen bond donor(s) and 7 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:1053386?
The CAS number of RefChem:1053386 is 81786-35-8.
What is the molecular formula of RefChem:1053386?
The molecular formula of RefChem:1053386 is C11H21Cl2N3O5.
What is the molecular weight of RefChem:1053386?
The molecular weight of RefChem:1053386 is 345.09 g/mol.
Where can I buy RefChem:1053386?
You can request a quote for RefChem:1053386 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1053386?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1053386 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.