9-Methylgranatoline 2-chloro-6-methylcarbanilate (ester) monohydrochloride
TL;DR: 9-Methylgranatoline 2-chloro-6-methylcarbanilate (ester) monohydrochloride (CAS 29389-49-9) is a chemical compound with molecular formula C17H24Cl2N2O2 and molecular weight 358.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl] N-(2-chloro-6-methylphenyl)carbamate;hydrochloride
Also Known As: 9-Methylgranatoline 2-chloro-6-methylcarbanilate (ester) monohydrochloride, Granatoline, 9-methyl-, 2-chloro-6-methylcarbanilate (ester), monohydrochloride
| Molecular Formula | C17H24Cl2N2O2 |
|---|---|
| Molecular Weight | 358.12 g/mol |
| LogP | 4.63402 |
| Topological Polar Surface Area | 41.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 358.1215 |
| Heavy Atoms | 23 |
| Complexity | 392.0 |
Chemical Identifiers
| CAS Number | 29389-49-9 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)Cl)NC(=O)OC2C[C@H]3CCC[C@@H](C2)N3C.Cl |
| InChIKey | AUICEHWXGNTUEI-LIWIJTDLSA-N |
Product Overview
9-Methylgranatoline 2-chloro-6-methylcarbanilate (ester) monohydrochloride (CAS 29389-49-9), with molecular formula C17H24Cl2N2O2 and molecular weight 358.12 g/mol. IUPAC: [(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl] N-(2-chloro-6-methylphenyl)carbamate;hydrochloride.
Chemical Property Profile of 9-Methylgranatoline 2-chloro-6-methylcarbanilate (ester) monohydrochloride
Property Insights of 9-Methylgranatoline 2-chloro-6-methylcarbanilate (ester) monohydrochloride
The XLogP value of 4.63402 indicates that 9-Methylgranatoline 2-chloro-6-methylcarbanilate (ester) monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.6 Ų, 9-Methylgranatoline 2-chloro-6-methylcarbanilate (ester) monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-Methylgranatoline 2-chloro-6-methylcarbanilate (ester) monohydrochloride has 2 hydrogen bond donor(s) and 3 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 9-Methylgranatoline 2-chloro-6-methylcarbanilate (ester) monohydrochloride?
The CAS number of 9-Methylgranatoline 2-chloro-6-methylcarbanilate (ester) monohydrochloride is 29389-49-9.
What is the molecular formula of 9-Methylgranatoline 2-chloro-6-methylcarbanilate (ester) monohydrochloride?
The molecular formula of 9-Methylgranatoline 2-chloro-6-methylcarbanilate (ester) monohydrochloride is C17H24Cl2N2O2.
What is the molecular weight of 9-Methylgranatoline 2-chloro-6-methylcarbanilate (ester) monohydrochloride?
The molecular weight of 9-Methylgranatoline 2-chloro-6-methylcarbanilate (ester) monohydrochloride is 358.12 g/mol.
Where can I buy 9-Methylgranatoline 2-chloro-6-methylcarbanilate (ester) monohydrochloride?
You can request a quote for 9-Methylgranatoline 2-chloro-6-methylcarbanilate (ester) monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Methylgranatoline 2-chloro-6-methylcarbanilate (ester) monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 9-Methylgranatoline 2-chloro-6-methylcarbanilate (ester) monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.