RefChem:350733
TL;DR: RefChem:350733 (CAS 134185-27-6) is a chemical compound with molecular formula C18H27ClN4O5S and molecular weight 446.13907 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(3S,3aR,6S,6aS)-3-[4-(3-pyridin-4-ylsulfanylpropyl)piperazin-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate;hydrochloride
Also Known As: L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-(3-(4-pyridinylthio)propyl)-1-piperazinyl)-, 5-nitrate, hydrochloride, [(3S,3aR,6S,6aS)-3-[4-(3-pyridin-4-ylsulfanylpropyl)piperazin-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate hydrochloride, 1,4:3,6-Dianhydro-2-deoxy-5-O-nitro-2-(4-{3-[(pyridin-4-yl)sulfanyl]propyl}piperazin-1-yl)-L-iditol--hydrogen chloride (1/1)
Technical Specifications
| Molecular Formula | C18H27ClN4O5S |
| Molecular Weight | 446.13907 g/mol |
| XLogP | 1.3463 |
| Topological Polar Surface Area (TPSA) | 118.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 446.13907 Da |
| Heavy Atoms | 29 |
| Complexity | 511.0 |
| SMILES | C1CN(CCN1CCCSC2=CC=NC=C2)[C@H]3CO[C@H]4[C@@H]3OC[C@@H]4O[N+](=O)[O-].Cl |
| InChIKey | LFSAPAWXAJGBLR-DBOKGZFLSA-N |
Chemical Property Profile of RefChem:350733
Property Insights of RefChem:350733
The XLogP value of 1.3463 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:350733. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:350733. Following Lipinski's Rule of Five, RefChem:350733 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:350733?
The CAS number of RefChem:350733 is 134185-27-6.
What is the molecular formula of RefChem:350733?
The molecular formula of RefChem:350733 is C18H27ClN4O5S.
What is the molecular weight of RefChem:350733?
The molecular weight of RefChem:350733 is 446.13907 g/mol.
Where can I buy RefChem:350733?
You can request a quote for RefChem:350733 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:350733?
Yes, CoreyChem provides custom synthesis services for RefChem:350733 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.