![(4aS,9aS)-2,4a,9-Trimethyl-2,3,4,4a,9,9a-hexahydro-[1,2]oxazino[6,5-b]indol-6-yl heptylcarbamate hydrochloride structure](/static/products/147/147606-23-3.png)
(4aS,9aS)-2,4a,9-Trimethyl-2,3,4,4a,9,9a-hexahydro-[1,2]oxazino[6,5-b]indol-6-yl heptylcarbamate hydrochloride
TL;DR: (4aS,9aS)-2,4a,9-Trimethyl-2,3,4,4a,9,9a-hexahydro-[1,2]oxazino[6,5-b]indol-6-yl heptylcarbamate hydrochloride (CAS 147606-23-3) 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.
[(4aS,9aS)-2,4a,9-trimethyl-4,9a-dihydro-3H-oxazino[6,5-b]indol-6-yl] N-heptylcarbamate;hydrochloride
Also Known As: (4aS,9aS)-2,4a,9-Trimethyl-2,3,4,4a,9,9a-hexahydro-[1,2]oxazino[6,5-b]indol-6-yl heptylcarbamate hydrochloride
| Molecular Formula | C21H34ClN3O3 |
|---|---|
| Molecular Weight | 411.23 g/mol |
| LogP | 4.4679 |
| Topological Polar Surface Area | 54.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 411.22888 |
| Heavy Atoms | 28 |
| Complexity | 672.29596 |
Chemical Identifiers
| CAS Number | 147606-23-3 |
|---|---|
| SMILES | CCCCCCCNC(=O)OC1=CC2=C(C=C1)N([C@@H]3[C@]2(CCN(O3)C)C)C.Cl |
Product Overview
(4aS,9aS)-2,4a,9-Trimethyl-2,3,4,4a,9,9a-hexahydro-[1,2]oxazino[6,5-b]indol-6-yl heptylcarbamate hydrochloride (CAS 147606-23-3), with molecular formula C21H34ClN3O3 and molecular weight 411.23 g/mol. IUPAC: [(4aS,9aS)-2,4a,9-trimethyl-4,9a-dihydro-3H-oxazino[6,5-b]indol-6-yl] N-heptylcarbamate;hydrochloride.
Chemical Property Profile of (4aS,9aS)-2,4a,9-Trimethyl-2,3,4,4a,9,9a-hexahydro-[1,2]oxazino[6,5-b]indol-6-yl heptylcarbamate hydrochloride
Property Insights of (4aS,9aS)-2,4a,9-Trimethyl-2,3,4,4a,9,9a-hexahydro-[1,2]oxazino[6,5-b]indol-6-yl heptylcarbamate hydrochloride
The XLogP value of 4.4679 indicates that (4aS,9aS)-2,4a,9-Trimethyl-2,3,4,4a,9,9a-hexahydro-[1,2]oxazino[6,5-b]indol-6-yl heptylcarbamate hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.04 Ų, (4aS,9aS)-2,4a,9-Trimethyl-2,3,4,4a,9,9a-hexahydro-[1,2]oxazino[6,5-b]indol-6-yl heptylcarbamate hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4aS,9aS)-2,4a,9-Trimethyl-2,3,4,4a,9,9a-hexahydro-[1,2]oxazino[6,5-b]indol-6-yl heptylcarbamate hydrochloride has 1 hydrogen bond donor(s) and 5 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 (4aS,9aS)-2,4a,9-Trimethyl-2,3,4,4a,9,9a-hexahydro-[1,2]oxazino[6,5-b]indol-6-yl heptylcarbamate hydrochloride?
The CAS number of (4aS,9aS)-2,4a,9-Trimethyl-2,3,4,4a,9,9a-hexahydro-[1,2]oxazino[6,5-b]indol-6-yl heptylcarbamate hydrochloride is 147606-23-3.
What is the molecular formula of (4aS,9aS)-2,4a,9-Trimethyl-2,3,4,4a,9,9a-hexahydro-[1,2]oxazino[6,5-b]indol-6-yl heptylcarbamate hydrochloride?
The molecular formula of (4aS,9aS)-2,4a,9-Trimethyl-2,3,4,4a,9,9a-hexahydro-[1,2]oxazino[6,5-b]indol-6-yl heptylcarbamate hydrochloride is C21H34ClN3O3.
What is the molecular weight of (4aS,9aS)-2,4a,9-Trimethyl-2,3,4,4a,9,9a-hexahydro-[1,2]oxazino[6,5-b]indol-6-yl heptylcarbamate hydrochloride?
The molecular weight of (4aS,9aS)-2,4a,9-Trimethyl-2,3,4,4a,9,9a-hexahydro-[1,2]oxazino[6,5-b]indol-6-yl heptylcarbamate hydrochloride is 411.23 g/mol.
Where can I buy (4aS,9aS)-2,4a,9-Trimethyl-2,3,4,4a,9,9a-hexahydro-[1,2]oxazino[6,5-b]indol-6-yl heptylcarbamate hydrochloride?
You can request a quote for (4aS,9aS)-2,4a,9-Trimethyl-2,3,4,4a,9,9a-hexahydro-[1,2]oxazino[6,5-b]indol-6-yl heptylcarbamate hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4aS,9aS)-2,4a,9-Trimethyl-2,3,4,4a,9,9a-hexahydro-[1,2]oxazino[6,5-b]indol-6-yl heptylcarbamate hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for (4aS,9aS)-2,4a,9-Trimethyl-2,3,4,4a,9,9a-hexahydro-[1,2]oxazino[6,5-b]indol-6-yl heptylcarbamate hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.