RefChem:350750
TL;DR: RefChem:350750 (CAS 81786-37-0) is a chemical compound with molecular formula C14H19ClN2O5 and molecular weight 330.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,3aR,6S,6aS)-3-[benzyl(methyl)amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate;hydrochloride
Also Known As: 5-(N-Benzyl-N-methylamino)-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat-hydrochlorid [German], L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(methyl(phenylmethyl)amino)-, 5-nitrate, monohydrochloride, 5-(N-Benzyl-N-methylamino)-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat-hydrochlorid, [(3S,3aR,6S,6aS)-3-[benzyl(methyl)amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate hydrochloride, 1,4:3,6-Dianhydro-2-[benzyl(methyl)amino]-2-deoxy-5-O-nitro-L-iditol--hydrogen chloride (1/1)
| Molecular Formula | C14H19ClN2O5 |
|---|---|
| Molecular Weight | 330.10 g/mol |
| LogP | 1.2833 |
| Topological Polar Surface Area | 74.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 330.09824 |
| Heavy Atoms | 22 |
| Complexity | 503.2664 |
Chemical Identifiers
| CAS Number | 81786-37-0 |
|---|---|
| SMILES | CN(CC1=CC=CC=C1)[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3O[N+](=O)[O-].Cl |
Product Overview
RefChem:350750 (CAS 81786-37-0), with molecular formula C14H19ClN2O5 and molecular weight 330.10 g/mol. IUPAC: [(3S,3aR,6S,6aS)-3-[benzyl(methyl)amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate;hydrochloride.
Chemical Property Profile of RefChem:350750
Property Insights of RefChem:350750
The XLogP value of 1.2833 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:350750. The TPSA of 74.07 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:350750. Following Lipinski's Rule of Five, RefChem:350750 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 RefChem:350750?
The CAS number of RefChem:350750 is 81786-37-0.
What is the molecular formula of RefChem:350750?
The molecular formula of RefChem:350750 is C14H19ClN2O5.
What is the molecular weight of RefChem:350750?
The molecular weight of RefChem:350750 is 330.10 g/mol.
Where can I buy RefChem:350750?
You can request a quote for RefChem:350750 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:350750?
Yes, KEHONG BIO provides custom synthesis services for RefChem:350750 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.