RefChem:1066038
TL;DR: RefChem:1066038 (CAS 101834-41-7) is a chemical compound with molecular formula C15H21ClN2O2 and molecular weight 296.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,10,13-trimethyl-4-nitro-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene;hydrochloride
Also Known As: beta-2'-Nitro-2,5,9-trimethyl-6,7-benzomorphan hydrochloride, 1,2,3,4,5,6-Hexahydro-8-nitro-3,6,11-trimethyl-2,6-methano-3-benzazocine hydrochloride, 2,6-Methano-3-benzazocine, 1,2,3,4,5,6-hexahydro-8-nitro-3,6,11-trimethyl-, hydrochloride, 3,6,11-Trimethyl-8-nitro-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocine--hydrogen chloride (1/1), RefChem:1066038
| Molecular Formula | C15H21ClN2O2 |
|---|---|
| Molecular Weight | 296.13 g/mol |
| LogP | 3.1706 |
| Topological Polar Surface Area | 46.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 296.12915 |
| Heavy Atoms | 20 |
| Complexity | 548.6751 |
Chemical Identifiers
| CAS Number | 101834-41-7 |
|---|---|
| SMILES | CC1C2CC3=C(C1(CCN2C)C)C=C(C=C3)[N+](=O)[O-].Cl |
Product Overview
RefChem:1066038 (CAS 101834-41-7), with molecular formula C15H21ClN2O2 and molecular weight 296.13 g/mol. IUPAC: 1,10,13-trimethyl-4-nitro-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene;hydrochloride.
Chemical Property Profile of RefChem:1066038
Property Insights of RefChem:1066038
The XLogP value of 3.1706 indicates that RefChem:1066038 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.38 Ų, RefChem:1066038 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1066038 has 0 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:1066038?
The CAS number of RefChem:1066038 is 101834-41-7.
What is the molecular formula of RefChem:1066038?
The molecular formula of RefChem:1066038 is C15H21ClN2O2.
What is the molecular weight of RefChem:1066038?
The molecular weight of RefChem:1066038 is 296.13 g/mol.
Where can I buy RefChem:1066038?
You can request a quote for RefChem:1066038 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1066038?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1066038 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.