RefChem:331899
TL;DR: RefChem:331899 (CAS 71746-37-7) is a chemical compound with molecular formula C25H39ClN2O3 and molecular weight 450.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(dimethylamino)-4-tricyclo[4.4.0.03,8]decanyl] N-(2-hexoxyphenyl)carbamate;hydrochloride
Also Known As: Carbamic acid, (2-(hexyloxy)phenyl)-, 5-(dimethylamino)tricyclo(4.4.0.0(sup 3,8))dec-4-yl ester, monohydrochloride, stereoisomer, 5-(Dimethylamino)tricyclo[4.4.0.0~3,8~]decan-4-yl hydrogen [2-(hexyloxy)phenyl]carbonimidate--hydrogen chloride (1/1), RefChem:331899
| Molecular Formula | C25H39ClN2O3 |
|---|---|
| Molecular Weight | 450.26 g/mol |
| LogP | 5.9808 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 450.26492 |
| Heavy Atoms | 31 |
| Complexity | 728.4736 |
Chemical Identifiers
| CAS Number | 71746-37-7 |
|---|---|
| SMILES | CCCCCCOC1=CC=CC=C1NC(=O)OC2C3CC4CCC3CC4C2N(C)C.Cl |
Product Overview
RefChem:331899 (CAS 71746-37-7), with molecular formula C25H39ClN2O3 and molecular weight 450.26 g/mol. IUPAC: [5-(dimethylamino)-4-tricyclo[4.4.0.03,8]decanyl] N-(2-hexoxyphenyl)carbamate;hydrochloride.
Chemical Property Profile of RefChem:331899
Property Insights of RefChem:331899
The XLogP value of 5.9808 indicates that RefChem:331899 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.8 Ų, RefChem:331899 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:331899 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:331899?
The CAS number of RefChem:331899 is 71746-37-7.
What is the molecular formula of RefChem:331899?
The molecular formula of RefChem:331899 is C25H39ClN2O3.
What is the molecular weight of RefChem:331899?
The molecular weight of RefChem:331899 is 450.26 g/mol.
Where can I buy RefChem:331899?
You can request a quote for RefChem:331899 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:331899?
Yes, KEHONG BIO provides custom synthesis services for RefChem:331899 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.