1,4:3,6-Dianhydro-2-deoxy-2-(1-pyrrolidinyl)-L-iditol 5-nitrate monohydrochloride
TL;DR: 1,4:3,6-Dianhydro-2-deoxy-2-(1-pyrrolidinyl)-L-iditol 5-nitrate monohydrochloride (CAS 81786-32-5) is a chemical compound with molecular formula C10H17ClN2O5 and molecular weight 280.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,3aR,6S,6aS)-3-pyrrolidin-1-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate;hydrochloride
Also Known As: 1,4:3,6-Dianhydro-2-deoxy-2-(1-pyrrolidinyl)-L-iditol 5-nitrate monohydrochloride, 5-Pyrrolidino-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat-hydrochlorid [German], 5-Pyrrolidino-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat-hydrochlorid, L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(1-pyrrolidinyl)-, 5-nitrate, monohydrochloride, 1,4:3,6-Dianhydro-2-deoxy-5-O-nitro-2-pyrrolidin-1-ylhexitol--hydrogen chloride (1/1)
| Molecular Formula | C10H17ClN2O5 |
|---|---|
| Molecular Weight | 280.08 g/mol |
| LogP | 0.2471 |
| Topological Polar Surface Area | 74.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 280.0826 |
| Heavy Atoms | 18 |
| Complexity | 312.64316 |
Chemical Identifiers
| CAS Number | 81786-32-5 |
|---|---|
| SMILES | C1CCN(C1)[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3O[N+](=O)[O-].Cl |
Product Overview
1,4:3,6-Dianhydro-2-deoxy-2-(1-pyrrolidinyl)-L-iditol 5-nitrate monohydrochloride (CAS 81786-32-5), with molecular formula C10H17ClN2O5 and molecular weight 280.08 g/mol. IUPAC: [(3S,3aR,6S,6aS)-3-pyrrolidin-1-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate;hydrochloride.
Chemical Property Profile of 1,4:3,6-Dianhydro-2-deoxy-2-(1-pyrrolidinyl)-L-iditol 5-nitrate monohydrochloride
Property Insights of 1,4:3,6-Dianhydro-2-deoxy-2-(1-pyrrolidinyl)-L-iditol 5-nitrate monohydrochloride
The XLogP value of 0.2471 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4:3,6-Dianhydro-2-deoxy-2-(1-pyrrolidinyl)-L-iditol 5-nitrate monohydrochloride. The TPSA of 74.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4:3,6-Dianhydro-2-deoxy-2-(1-pyrrolidinyl)-L-iditol 5-nitrate monohydrochloride. Following Lipinski's Rule of Five, 1,4:3,6-Dianhydro-2-deoxy-2-(1-pyrrolidinyl)-L-iditol 5-nitrate monohydrochloride has 0 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 1,4:3,6-Dianhydro-2-deoxy-2-(1-pyrrolidinyl)-L-iditol 5-nitrate monohydrochloride?
The CAS number of 1,4:3,6-Dianhydro-2-deoxy-2-(1-pyrrolidinyl)-L-iditol 5-nitrate monohydrochloride is 81786-32-5.
What is the molecular formula of 1,4:3,6-Dianhydro-2-deoxy-2-(1-pyrrolidinyl)-L-iditol 5-nitrate monohydrochloride?
The molecular formula of 1,4:3,6-Dianhydro-2-deoxy-2-(1-pyrrolidinyl)-L-iditol 5-nitrate monohydrochloride is C10H17ClN2O5.
What is the molecular weight of 1,4:3,6-Dianhydro-2-deoxy-2-(1-pyrrolidinyl)-L-iditol 5-nitrate monohydrochloride?
The molecular weight of 1,4:3,6-Dianhydro-2-deoxy-2-(1-pyrrolidinyl)-L-iditol 5-nitrate monohydrochloride is 280.08 g/mol.
Where can I buy 1,4:3,6-Dianhydro-2-deoxy-2-(1-pyrrolidinyl)-L-iditol 5-nitrate monohydrochloride?
You can request a quote for 1,4:3,6-Dianhydro-2-deoxy-2-(1-pyrrolidinyl)-L-iditol 5-nitrate monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4:3,6-Dianhydro-2-deoxy-2-(1-pyrrolidinyl)-L-iditol 5-nitrate monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1,4:3,6-Dianhydro-2-deoxy-2-(1-pyrrolidinyl)-L-iditol 5-nitrate monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.