RefChem:350751
TL;DR: RefChem:350751 (CAS 81785-52-6) is a chemical compound with molecular formula C17H24ClN3O7 and molecular weight 417.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,3aR,6S,6aS)-3-[3-(4-acetamidophenoxy)propylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate;hydrochloride
Also Known As: C17H23N3O7.ClH.1/2H2O, 2-((3-(4-Acetaminophenoxy)propyl)amino)-1,4:3,6-dianhydro-2-deoxy-L-iditol 5-nitrate HCl H2O, ABZ-GLY-ILE-VAL-ARG-ALA-LYS(DNP)-OH, C17-H23-N3-O7.Cl-H.1/2H2-O, L-Iditol, 2-((3-(4-(acetylamino)phenoxy)propyl)amino)-1,4:3,6-dianhydro-2-deoxy-, 5-nitrate, hydrochloride, hydrate (2:2:1)
| Molecular Formula | C17H24ClN3O7 |
|---|---|
| Molecular Weight | 417.13 g/mol |
| LogP | 1.1684 |
| Topological Polar Surface Area | 121.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 417.13028 |
| Heavy Atoms | 28 |
| Complexity | 660.656 |
Chemical Identifiers
| CAS Number | 81785-52-6 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)OCCCN[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3O[N+](=O)[O-].Cl |
Product Overview
RefChem:350751 (CAS 81785-52-6), with molecular formula C17H24ClN3O7 and molecular weight 417.13 g/mol. IUPAC: [(3S,3aR,6S,6aS)-3-[3-(4-acetamidophenoxy)propylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate;hydrochloride.
Chemical Property Profile of RefChem:350751
Property Insights of RefChem:350751
The XLogP value of 1.1684 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:350751. The TPSA of 121.19 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:350751. Following Lipinski's Rule of Five, RefChem:350751 has 2 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:350751?
The CAS number of RefChem:350751 is 81785-52-6.
What is the molecular formula of RefChem:350751?
The molecular formula of RefChem:350751 is C17H24ClN3O7.
What is the molecular weight of RefChem:350751?
The molecular weight of RefChem:350751 is 417.13 g/mol.
Where can I buy RefChem:350751?
You can request a quote for RefChem:350751 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:350751?
Yes, KEHONG BIO provides custom synthesis services for RefChem:350751 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.