RefChem:350720
TL;DR: RefChem:350720 (CAS 81786-52-9) is a chemical compound with molecular formula C17H25ClN2O6 and molecular weight 388.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,3aR,6S,6aS)-3-[4-(4-methoxyphenyl)butylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate;hydrochloride
Also Known As: 5-(4-(4-Methoxyphenyl)-butylamino)-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat HCl [German], L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-((4-(4-methoxyhenyl)butyl)amino)-, 5-nitrate, monohydrochloride, 5-(4-(4-Methoxyphenyl)-butylamino)-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat HCl, [(3S,3aR,6S,6aS)-3-[4-(4-methoxyphenyl)butylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate hydrochloride, 1,4:3,6-Dianhydro-2-deoxy-2-{[4-(4-methoxyphenyl)butyl]amino}-5-O-nitro-L-iditol--hydrogen chloride (1/1)
| Molecular Formula | C17H25ClN2O6 |
|---|---|
| Molecular Weight | 388.14 g/mol |
| LogP | 1.7724 |
| Topological Polar Surface Area | 92.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 388.1401 |
| Heavy Atoms | 26 |
| Complexity | 572.87646 |
Chemical Identifiers
| CAS Number | 81786-52-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CCCCN[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3O[N+](=O)[O-].Cl |
Product Overview
RefChem:350720 (CAS 81786-52-9), with molecular formula C17H25ClN2O6 and molecular weight 388.14 g/mol. IUPAC: [(3S,3aR,6S,6aS)-3-[4-(4-methoxyphenyl)butylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate;hydrochloride.
Chemical Property Profile of RefChem:350720
Property Insights of RefChem:350720
The XLogP value of 1.7724 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:350720. The TPSA of 92.09 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:350720. Following Lipinski's Rule of Five, RefChem:350720 has 1 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:350720?
The CAS number of RefChem:350720 is 81786-52-9.
What is the molecular formula of RefChem:350720?
The molecular formula of RefChem:350720 is C17H25ClN2O6.
What is the molecular weight of RefChem:350720?
The molecular weight of RefChem:350720 is 388.14 g/mol.
Where can I buy RefChem:350720?
You can request a quote for RefChem:350720 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:350720?
Yes, KEHONG BIO provides custom synthesis services for RefChem:350720 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.