RefChem:1061091
TL;DR: RefChem:1061091 (CAS 63732-93-4) is a chemical compound with molecular formula C25H29ClN2O5 and molecular weight 472.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(1R,9R,10R)-4-hydroxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-17-yl]-1-(4-methoxy-3-nitrophenyl)ethanone;hydrochloride
Also Known As: (-)-17-(4-Methoxy-3-nitro)phenacylmorphinan-3-ol hydrochloride, Morphinan-3-ol, 17-(4-methoxy-3-nitro)phenacyl-, hydrochloride, (-)-, 2-(3-Hydroxymorphinan-17-yl)-1-(4-methoxy-3-nitrophenyl)ethan-1-one--hydrogen chloride (1/1), Ethanone, 2-(3-hydroxymorphinan-17-yl)-1-(4-methoxy-3-nitrophenyl)-, monohydrochloride, RefChem:1061091
| Molecular Formula | C25H29ClN2O5 |
|---|---|
| Molecular Weight | 472.18 g/mol |
| LogP | 4.6721 |
| Topological Polar Surface Area | 92.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 472.1765 |
| Heavy Atoms | 33 |
| Complexity | 1090.4622 |
Chemical Identifiers
| CAS Number | 63732-93-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)CN2CC[C@]34CCCC[C@H]3[C@H]2CC5=C4C=C(C=C5)O)[N+](=O)[O-].Cl |
Product Overview
RefChem:1061091 (CAS 63732-93-4), with molecular formula C25H29ClN2O5 and molecular weight 472.18 g/mol. IUPAC: 2-[(1R,9R,10R)-4-hydroxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-17-yl]-1-(4-methoxy-3-nitrophenyl)ethanone;hydrochloride.
Chemical Property Profile of RefChem:1061091
Property Insights of RefChem:1061091
The XLogP value of 4.6721 indicates that RefChem:1061091 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.91 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1061091. Following Lipinski's Rule of Five, RefChem:1061091 has 1 hydrogen bond donor(s) and 6 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:1061091?
The CAS number of RefChem:1061091 is 63732-93-4.
What is the molecular formula of RefChem:1061091?
The molecular formula of RefChem:1061091 is C25H29ClN2O5.
What is the molecular weight of RefChem:1061091?
The molecular weight of RefChem:1061091 is 472.18 g/mol.
Where can I buy RefChem:1061091?
You can request a quote for RefChem:1061091 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1061091?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1061091 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.