Heroin 7,8-oxide
TL;DR: Heroin 7,8-oxide (CAS 77632-95-2) is a chemical compound with molecular formula C21H23NO6 and molecular weight 385.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,5R,13S,14R,15S,17S,18R)-10-acetyloxy-4-methyl-12,16-dioxa-4-azahexacyclo[9.7.1.01,13.05,18.07,19.015,17]nonadeca-7(19),8,10-trien-14-yl] acetate
Also Known As: Heroin 7,8-oxide, 2-Methyl-1,3,4,9a,10,10a,11a,11b-octahydro-2H-1,5-methano[1]benzofuro[3,2-e]oxireno[h]isoquinoline-8,10-diyl diacetate, (1R,4aS,9aS,10R,10aS,11aS,11bR)-2-Methyl-1,3,4,9a,10,10a,11a,11b-octahydro-2H-1,5-methano[1]benzofuro[3,2-e]oxireno[h]isoquinoline-8,10-diyl diacetate, [(1S,5R,13S,14R,15S,17S,18R)-10-Acetyloxy-4-methyl-12,16-dioxa-4-azahexacyclo[9.7.1.01,13.05,18.07,19.015,17]nonadeca-7(19),8,10-trien-14-yl] acetate
| Molecular Formula | C21H23NO6 |
|---|---|
| Molecular Weight | 385.15 g/mol |
| LogP | 1.1998 |
| Topological Polar Surface Area | 77.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 385.15253 |
| Heavy Atoms | 28 |
| Complexity | 914.40204 |
Chemical Identifiers
| CAS Number | 77632-95-2 |
|---|---|
| SMILES | CC(=O)O[C@H]1[C@@H]2[C@@H](O2)[C@H]3[C@H]4CC5=C6[C@]3([C@@H]1OC6=C(C=C5)OC(=O)C)CCN4C |
Product Overview
Heroin 7,8-oxide (CAS 77632-95-2), with molecular formula C21H23NO6 and molecular weight 385.15 g/mol. IUPAC: [(1S,5R,13S,14R,15S,17S,18R)-10-acetyloxy-4-methyl-12,16-dioxa-4-azahexacyclo[9.7.1.01,13.05,18.07,19.015,17]nonadeca-7(19),8,10-trien-14-yl] acetate.
Chemical Property Profile of Heroin 7,8-oxide
Property Insights of Heroin 7,8-oxide
The XLogP value of 1.1998 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Heroin 7,8-oxide. The TPSA of 77.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Heroin 7,8-oxide. Following Lipinski's Rule of Five, Heroin 7,8-oxide has 0 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 Heroin 7,8-oxide?
The CAS number of Heroin 7,8-oxide is 77632-95-2.
What is the molecular formula of Heroin 7,8-oxide?
The molecular formula of Heroin 7,8-oxide is C21H23NO6.
What is the molecular weight of Heroin 7,8-oxide?
The molecular weight of Heroin 7,8-oxide is 385.15 g/mol.
Where can I buy Heroin 7,8-oxide?
You can request a quote for Heroin 7,8-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heroin 7,8-oxide?
Yes, KEHONG BIO provides custom synthesis services for Heroin 7,8-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.