RefChem:1060298
TL;DR: RefChem:1060298 (CAS 30182-64-0) is a chemical compound with molecular formula C16H22ClNO2 and molecular weight 295.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(10-methyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-1-yl) propanoate;hydrochloride
Also Known As: 5-Carbethoxy-2-methyl-6,7-benzomorphan hydrochloride, 5-Propionyloxy-2(N)-methyl-6,7-benzomorphan hydrochloride, 2,6-Methano-3-benzazocin-6-ol, 1,2,3,4,5,6-hexahydro-3-methyl-, propionate (ester), hydrochloride, 3-methyl-2,3,4,5-tetrahydro-2,6-methano-3-benzazocin-6(1h)-yl propanoate hydrochloride(1:1), Propionic acid, 1,2,3,4,5,6-hexahydro-3-methyl-2,6-methano-3-benzazocin-6-yl-, hydrochloride
| Molecular Formula | C16H22ClNO2 |
|---|---|
| Molecular Weight | 295.13 g/mol |
| LogP | 2.91 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 295.1339 |
| Heavy Atoms | 20 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 30182-64-0 |
|---|---|
| SMILES | CCC(=O)OC12CCN(C(C1)CC3=CC=CC=C23)C.Cl |
| InChIKey | JXFDNEIQTJJIDQ-UHFFFAOYSA-N |
Product Overview
RefChem:1060298 (CAS 30182-64-0), with molecular formula C16H22ClNO2 and molecular weight 295.13 g/mol. IUPAC: (10-methyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-1-yl) propanoate;hydrochloride.
Chemical Property Profile of RefChem:1060298
Property Insights of RefChem:1060298
The XLogP value of 2.91 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1060298. With a topological polar surface area (TPSA) of 29.5 Ų, RefChem:1060298 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1060298 has 1 hydrogen bond donor(s) and 3 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:1060298?
The CAS number of RefChem:1060298 is 30182-64-0.
What is the molecular formula of RefChem:1060298?
The molecular formula of RefChem:1060298 is C16H22ClNO2.
What is the molecular weight of RefChem:1060298?
The molecular weight of RefChem:1060298 is 295.13 g/mol.
Where can I buy RefChem:1060298?
You can request a quote for RefChem:1060298 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1060298?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1060298 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.