RefChem:350736
TL;DR: RefChem:350736 (CAS 134185-17-4) is a chemical compound with molecular formula C19H29Cl2N3O5S and molecular weight 481.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,3aR,6S,6aS)-3-[4-(3-phenylsulfanylpropyl)piperazin-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate;dihydrochloride
Also Known As: 5-Deoxy-5-(4-(3-phenylthiopropyl)piperazin-1-yl)-1,4:3,6-dianhydro-L-iditol 2-nitrate HCl, L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-(3-(phenylthio)propyl)-1-piperazinyl)-, 5-nitrate, dihydrochloride, [(3S,3aR,6S,6aS)-3-[4-(3-phenylsulfanylpropyl)piperazin-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate dihydrochloride, 1,4:3,6-Dianhydro-2-deoxy-5-O-nitro-2-{4-[3-(phenylsulfanyl)propyl]piperazin-1-yl}-L-iditol--hydrogen chloride (1/2), 1,4:3,6-Dianhydro-2-deoxy-5-O-nitro-2-{4-[3-(phenylsulfanyl)propyl]piperazin-1-yl}hexitol--hydrogen chloride (1/2)
| Molecular Formula | C19H29Cl2N3O5S |
|---|---|
| Molecular Weight | 481.12 g/mol |
| LogP | 2.3731 |
| Topological Polar Surface Area | 77.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 481.12048 |
| Heavy Atoms | 30 |
| Complexity | 654.3169 |
Chemical Identifiers
| CAS Number | 134185-17-4 |
|---|---|
| SMILES | C1CN(CCN1CCCSC2=CC=CC=C2)[C@H]3CO[C@H]4[C@@H]3OC[C@@H]4O[N+](=O)[O-].Cl.Cl |
Product Overview
RefChem:350736 (CAS 134185-17-4), with molecular formula C19H29Cl2N3O5S and molecular weight 481.12 g/mol. IUPAC: [(3S,3aR,6S,6aS)-3-[4-(3-phenylsulfanylpropyl)piperazin-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate;dihydrochloride.
Chemical Property Profile of RefChem:350736
Property Insights of RefChem:350736
The XLogP value of 2.3731 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:350736. The TPSA of 77.31 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:350736. Following Lipinski's Rule of Five, RefChem:350736 has 0 hydrogen bond donor(s) and 8 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:350736?
The CAS number of RefChem:350736 is 134185-17-4.
What is the molecular formula of RefChem:350736?
The molecular formula of RefChem:350736 is C19H29Cl2N3O5S.
What is the molecular weight of RefChem:350736?
The molecular weight of RefChem:350736 is 481.12 g/mol.
Where can I buy RefChem:350736?
You can request a quote for RefChem:350736 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:350736?
Yes, KEHONG BIO provides custom synthesis services for RefChem:350736 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.