Carbamic acid, (2-propoxyphenyl)-, 3-(dimethylamino)bicyclo(2.2.2)oct-2-yl ester, monohydrochloride, trans-
TL;DR: Carbamic acid, (2-propoxyphenyl)-, 3-(dimethylamino)bicyclo(2.2.2)oct-2-yl ester, monohydrochloride, trans- (CAS 71746-33-3) is a chemical compound with molecular formula C20H31ClN2O3 and molecular weight 382.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3S)-3-(dimethylamino)-2-bicyclo[2.2.2]octanyl] N-(2-propoxyphenyl)carbamate;hydrochloride
Also Known As: Carbamic acid, (2-propoxyphenyl)-, 3-(dimethylamino)bicyclo(2.2.2)oct-2-yl ester, monohydrochloride, trans-, (2S,3S)-3-(Dimethylamino)bicyclo[2.2.2]octan-2-yl (2-propoxyphenyl)carbamate--hydrogen chloride (1/1), [(2S,3S)-2-(dimethylamino)-3-bicyclo[2.2.2]octanyl] N-(2-propoxyphenyl)carbamate hydrochloride, [(7S,8S)-7-dimethylamino-8-bicyclo[2.2.2]octyl] N-(2-propoxyphenyl)carbamate Hydrochloride, RefChem:331974
| Molecular Formula | C20H31ClN2O3 |
|---|---|
| Molecular Weight | 382.20 g/mol |
| LogP | 4.5645 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 382.20233 |
| Heavy Atoms | 26 |
| Complexity | 588.17395 |
Chemical Identifiers
| CAS Number | 71746-33-3 |
|---|---|
| SMILES | CCCOC1=CC=CC=C1NC(=O)O[C@@H]2[C@H](C3CCC2CC3)N(C)C.Cl |
Product Overview
Carbamic acid, (2-propoxyphenyl)-, 3-(dimethylamino)bicyclo(2.2.2)oct-2-yl ester, monohydrochloride, trans- (CAS 71746-33-3), with molecular formula C20H31ClN2O3 and molecular weight 382.20 g/mol. IUPAC: [(2S,3S)-3-(dimethylamino)-2-bicyclo[2.2.2]octanyl] N-(2-propoxyphenyl)carbamate;hydrochloride.
Chemical Property Profile of Carbamic acid, (2-propoxyphenyl)-, 3-(dimethylamino)bicyclo(2.2.2)oct-2-yl ester, monohydrochloride, trans-
Property Insights of Carbamic acid, (2-propoxyphenyl)-, 3-(dimethylamino)bicyclo(2.2.2)oct-2-yl ester, monohydrochloride, trans-
The XLogP value of 4.5645 indicates that Carbamic acid, (2-propoxyphenyl)-, 3-(dimethylamino)bicyclo(2.2.2)oct-2-yl ester, monohydrochloride, trans- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.8 Ų, Carbamic acid, (2-propoxyphenyl)-, 3-(dimethylamino)bicyclo(2.2.2)oct-2-yl ester, monohydrochloride, trans- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamic acid, (2-propoxyphenyl)-, 3-(dimethylamino)bicyclo(2.2.2)oct-2-yl ester, monohydrochloride, trans- has 1 hydrogen bond donor(s) and 4 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 Carbamic acid, (2-propoxyphenyl)-, 3-(dimethylamino)bicyclo(2.2.2)oct-2-yl ester, monohydrochloride, trans-?
The CAS number of Carbamic acid, (2-propoxyphenyl)-, 3-(dimethylamino)bicyclo(2.2.2)oct-2-yl ester, monohydrochloride, trans- is 71746-33-3.
What is the molecular formula of Carbamic acid, (2-propoxyphenyl)-, 3-(dimethylamino)bicyclo(2.2.2)oct-2-yl ester, monohydrochloride, trans-?
The molecular formula of Carbamic acid, (2-propoxyphenyl)-, 3-(dimethylamino)bicyclo(2.2.2)oct-2-yl ester, monohydrochloride, trans- is C20H31ClN2O3.
What is the molecular weight of Carbamic acid, (2-propoxyphenyl)-, 3-(dimethylamino)bicyclo(2.2.2)oct-2-yl ester, monohydrochloride, trans-?
The molecular weight of Carbamic acid, (2-propoxyphenyl)-, 3-(dimethylamino)bicyclo(2.2.2)oct-2-yl ester, monohydrochloride, trans- is 382.20 g/mol.
Where can I buy Carbamic acid, (2-propoxyphenyl)-, 3-(dimethylamino)bicyclo(2.2.2)oct-2-yl ester, monohydrochloride, trans-?
You can request a quote for Carbamic acid, (2-propoxyphenyl)-, 3-(dimethylamino)bicyclo(2.2.2)oct-2-yl ester, monohydrochloride, trans- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamic acid, (2-propoxyphenyl)-, 3-(dimethylamino)bicyclo(2.2.2)oct-2-yl ester, monohydrochloride, trans-?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, (2-propoxyphenyl)-, 3-(dimethylamino)bicyclo(2.2.2)oct-2-yl ester, monohydrochloride, trans- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.