L-Iditol, 1,4:3,6-dianhydro-2-(4-(2-benzothiazolyl)-1-piperazinyl)-2-deoxy-, 5-nitrate, hydrochloride
TL;DR: L-Iditol, 1,4:3,6-dianhydro-2-(4-(2-benzothiazolyl)-1-piperazinyl)-2-deoxy-, 5-nitrate, hydrochloride (CAS 134185-72-1) is a chemical compound with molecular formula C17H21ClN4O5S and molecular weight 428.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,3aR,6S,6aS)-3-[4-(1,3-benzothiazol-2-yl)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-(4-(2-benzothiazolyl)-1-piperazinyl)-2-deoxy-, 5-nitrate, hydrochloride, 5-(4-(Benzothiazol-2-yl)piperazin-1-yl)-5-deoxy-1,4:3,6-dianhydro-L-iditol 2-nitrate HCl, [(3S,3aR,6S,6aS)-3-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate hydrochloride, 1,4:3,6-Dianhydro-2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-deoxy-5-O-nitro-L-iditol--hydrogen chloride (1/1), RefChem:350706
| Molecular Formula | C17H21ClN4O5S |
|---|---|
| Molecular Weight | 428.09 g/mol |
| LogP | 1.5832 |
| Topological Polar Surface Area | 90.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 428.09213 |
| Heavy Atoms | 28 |
| Complexity | 812.817 |
Chemical Identifiers
| CAS Number | 134185-72-1 |
|---|---|
| SMILES | C1CN(CCN1[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3O[N+](=O)[O-])C4=NC5=CC=CC=C5S4.Cl |
Product Overview
L-Iditol, 1,4:3,6-dianhydro-2-(4-(2-benzothiazolyl)-1-piperazinyl)-2-deoxy-, 5-nitrate, hydrochloride (CAS 134185-72-1), with molecular formula C17H21ClN4O5S and molecular weight 428.09 g/mol. IUPAC: [(3S,3aR,6S,6aS)-3-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate;hydrochloride.
Chemical Property Profile of L-Iditol, 1,4:3,6-dianhydro-2-(4-(2-benzothiazolyl)-1-piperazinyl)-2-deoxy-, 5-nitrate, hydrochloride
Property Insights of L-Iditol, 1,4:3,6-dianhydro-2-(4-(2-benzothiazolyl)-1-piperazinyl)-2-deoxy-, 5-nitrate, hydrochloride
The XLogP value of 1.5832 suggests moderate lipophilicity, balancing water solubility and membrane permeability for L-Iditol, 1,4:3,6-dianhydro-2-(4-(2-benzothiazolyl)-1-piperazinyl)-2-deoxy-, 5-nitrate, hydrochloride. The TPSA of 90.2 Ų falls within the moderate polarity range, balancing permeability and solubility for L-Iditol, 1,4:3,6-dianhydro-2-(4-(2-benzothiazolyl)-1-piperazinyl)-2-deoxy-, 5-nitrate, hydrochloride. Following Lipinski's Rule of Five, L-Iditol, 1,4:3,6-dianhydro-2-(4-(2-benzothiazolyl)-1-piperazinyl)-2-deoxy-, 5-nitrate, hydrochloride has 0 hydrogen bond donor(s) and 9 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 L-Iditol, 1,4:3,6-dianhydro-2-(4-(2-benzothiazolyl)-1-piperazinyl)-2-deoxy-, 5-nitrate, hydrochloride?
The CAS number of L-Iditol, 1,4:3,6-dianhydro-2-(4-(2-benzothiazolyl)-1-piperazinyl)-2-deoxy-, 5-nitrate, hydrochloride is 134185-72-1.
What is the molecular formula of L-Iditol, 1,4:3,6-dianhydro-2-(4-(2-benzothiazolyl)-1-piperazinyl)-2-deoxy-, 5-nitrate, hydrochloride?
The molecular formula of L-Iditol, 1,4:3,6-dianhydro-2-(4-(2-benzothiazolyl)-1-piperazinyl)-2-deoxy-, 5-nitrate, hydrochloride is C17H21ClN4O5S.
What is the molecular weight of L-Iditol, 1,4:3,6-dianhydro-2-(4-(2-benzothiazolyl)-1-piperazinyl)-2-deoxy-, 5-nitrate, hydrochloride?
The molecular weight of L-Iditol, 1,4:3,6-dianhydro-2-(4-(2-benzothiazolyl)-1-piperazinyl)-2-deoxy-, 5-nitrate, hydrochloride is 428.09 g/mol.
Where can I buy L-Iditol, 1,4:3,6-dianhydro-2-(4-(2-benzothiazolyl)-1-piperazinyl)-2-deoxy-, 5-nitrate, hydrochloride?
You can request a quote for L-Iditol, 1,4:3,6-dianhydro-2-(4-(2-benzothiazolyl)-1-piperazinyl)-2-deoxy-, 5-nitrate, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for L-Iditol, 1,4:3,6-dianhydro-2-(4-(2-benzothiazolyl)-1-piperazinyl)-2-deoxy-, 5-nitrate, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for L-Iditol, 1,4:3,6-dianhydro-2-(4-(2-benzothiazolyl)-1-piperazinyl)-2-deoxy-, 5-nitrate, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.