RefChem:331896
TL;DR: RefChem:331896 (CAS 149749-97-3) is a chemical compound with molecular formula C28H47ClN2O3 and molecular weight 494.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,2S,3R,4R)-3-(diethylaminomethyl)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] N-(2-hexoxyphenyl)carbamate;hydrochloride
Also Known As: Carbamic acid, (2-(hexyloxy)phenyl)-, 3-((diethylamino)methyl)-1,7,7-trimethylbicyclo(2.2.1)hept-2-yl ester, monohydrochloride, (endo,endo)-(+-)-, (1R,2S,3R,4R)-3-[(Diethylamino)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl hydrogen [2-(hexyloxy)phenyl]carbonimidate--hydrogen chloride (1/1), 3-[(Diethylamino)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl hydrogen [2-(hexyloxy)phenyl]carbonimidate--hydrogen chloride (1/1), RefChem:331896
| Molecular Formula | C28H47ClN2O3 |
|---|---|
| Molecular Weight | 494.33 g/mol |
| LogP | 7.3987 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 494.3275 |
| Heavy Atoms | 34 |
| Complexity | 782.6697 |
Chemical Identifiers
| CAS Number | 149749-97-3 |
|---|---|
| SMILES | CCCCCCOC1=CC=CC=C1NC(=O)O[C@H]2[C@H]([C@H]3CC[C@@]2(C3(C)C)C)CN(CC)CC.Cl |
Product Overview
RefChem:331896 (CAS 149749-97-3), with molecular formula C28H47ClN2O3 and molecular weight 494.33 g/mol. IUPAC: [(1R,2S,3R,4R)-3-(diethylaminomethyl)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] N-(2-hexoxyphenyl)carbamate;hydrochloride.
Chemical Property Profile of RefChem:331896
Property Insights of RefChem:331896
The XLogP value of 7.3987 indicates that RefChem:331896 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:331896 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:331896 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:331896?
The CAS number of RefChem:331896 is 149749-97-3.
What is the molecular formula of RefChem:331896?
The molecular formula of RefChem:331896 is C28H47ClN2O3.
What is the molecular weight of RefChem:331896?
The molecular weight of RefChem:331896 is 494.33 g/mol.
Where can I buy RefChem:331896?
You can request a quote for RefChem:331896 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:331896?
Yes, KEHONG BIO provides custom synthesis services for RefChem:331896 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.