Carbamic acid, heptyl-, 1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethyl-1-oxidopyrrolo(2,3-b)indol-5-yl ester, monohydrochloride, (3aS-(3aalpha,8aalpha))-
TL;DR: Carbamic acid, heptyl-, 1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethyl-1-oxidopyrrolo(2,3-b)indol-5-yl ester, monohydrochloride, (3aS-(3aalpha,8aalpha))- (CAS 164584-55-8) is a chemical compound with molecular formula C21H34ClN3O3 and molecular weight 411.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3aS,8bS)-3,4,8b-trimethyl-3-oxido-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-3-ium-7-yl] N-heptylcarbamate;hydrochloride
Also Known As: Carbamic acid, heptyl-, 1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethyl-1-oxidopyrrolo(2,3-b)indol-5-yl ester, monohydrochloride, (3aS-(3aalpha,8aalpha))-, (3aS,8aS)-1,3a,8-Trimethyl-1-oxo-1,2,3,3a,8,8a-hexahydro-1lambda~5~-pyrrolo[2,3-b]indol-5-yl hydrogen heptylcarbonimidate--hydrogen chloride (1/1), [(3aS,8bS)-3,4,8b-trimethyl-3-oxido-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-3-ium-7-yl] N-heptylcarbamate hydrochloride, 1,3a,8-Trimethyl-1-oxo-1,2,3,3a,8,8a-hexahydro-1lambda~5~-pyrrolo[2,3-b]indol-5-yl hydrogen heptylcarbonimidate--hydrogen chloride (1/1)
| Molecular Formula | C21H34ClN3O3 |
|---|---|
| Molecular Weight | 411.23 g/mol |
| LogP | 4.5489 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 411.22888 |
| Heavy Atoms | 28 |
| Complexity | 697.47345 |
Chemical Identifiers
| CAS Number | 164584-55-8 |
|---|---|
| SMILES | CCCCCCCNC(=O)OC1=CC2=C(C=C1)N([C@@H]3[C@]2(CC[N+]3(C)[O-])C)C.Cl |
Product Overview
Carbamic acid, heptyl-, 1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethyl-1-oxidopyrrolo(2,3-b)indol-5-yl ester, monohydrochloride, (3aS-(3aalpha,8aalpha))- (CAS 164584-55-8), with molecular formula C21H34ClN3O3 and molecular weight 411.23 g/mol. IUPAC: [(3aS,8bS)-3,4,8b-trimethyl-3-oxido-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-3-ium-7-yl] N-heptylcarbamate;hydrochloride.
Chemical Property Profile of Carbamic acid, heptyl-, 1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethyl-1-oxidopyrrolo(2,3-b)indol-5-yl ester, monohydrochloride, (3aS-(3aalpha,8aalpha))-
Property Insights of Carbamic acid, heptyl-, 1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethyl-1-oxidopyrrolo(2,3-b)indol-5-yl ester, monohydrochloride, (3aS-(3aalpha,8aalpha))-
The XLogP value of 4.5489 indicates that Carbamic acid, heptyl-, 1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethyl-1-oxidopyrrolo(2,3-b)indol-5-yl ester, monohydrochloride, (3aS-(3aalpha,8aalpha))- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamic acid, heptyl-, 1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethyl-1-oxidopyrrolo(2,3-b)indol-5-yl ester, monohydrochloride, (3aS-(3aalpha,8aalpha))-. Following Lipinski's Rule of Five, Carbamic acid, heptyl-, 1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethyl-1-oxidopyrrolo(2,3-b)indol-5-yl ester, monohydrochloride, (3aS-(3aalpha,8aalpha))- 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, heptyl-, 1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethyl-1-oxidopyrrolo(2,3-b)indol-5-yl ester, monohydrochloride, (3aS-(3aalpha,8aalpha))-?
The CAS number of Carbamic acid, heptyl-, 1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethyl-1-oxidopyrrolo(2,3-b)indol-5-yl ester, monohydrochloride, (3aS-(3aalpha,8aalpha))- is 164584-55-8.
What is the molecular formula of Carbamic acid, heptyl-, 1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethyl-1-oxidopyrrolo(2,3-b)indol-5-yl ester, monohydrochloride, (3aS-(3aalpha,8aalpha))-?
The molecular formula of Carbamic acid, heptyl-, 1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethyl-1-oxidopyrrolo(2,3-b)indol-5-yl ester, monohydrochloride, (3aS-(3aalpha,8aalpha))- is C21H34ClN3O3.
What is the molecular weight of Carbamic acid, heptyl-, 1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethyl-1-oxidopyrrolo(2,3-b)indol-5-yl ester, monohydrochloride, (3aS-(3aalpha,8aalpha))-?
The molecular weight of Carbamic acid, heptyl-, 1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethyl-1-oxidopyrrolo(2,3-b)indol-5-yl ester, monohydrochloride, (3aS-(3aalpha,8aalpha))- is 411.23 g/mol.
Where can I buy Carbamic acid, heptyl-, 1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethyl-1-oxidopyrrolo(2,3-b)indol-5-yl ester, monohydrochloride, (3aS-(3aalpha,8aalpha))-?
You can request a quote for Carbamic acid, heptyl-, 1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethyl-1-oxidopyrrolo(2,3-b)indol-5-yl ester, monohydrochloride, (3aS-(3aalpha,8aalpha))- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamic acid, heptyl-, 1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethyl-1-oxidopyrrolo(2,3-b)indol-5-yl ester, monohydrochloride, (3aS-(3aalpha,8aalpha))-?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, heptyl-, 1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethyl-1-oxidopyrrolo(2,3-b)indol-5-yl ester, monohydrochloride, (3aS-(3aalpha,8aalpha))- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.