1-alpha-H,5-alpha-H-Tropan-3-alpha-ol, 2-chloro-6-methylcarbanilate (ester), monohydrochloride
TL;DR: 1-alpha-H,5-alpha-H-Tropan-3-alpha-ol, 2-chloro-6-methylcarbanilate (ester), monohydrochloride (CAS 29364-17-8) is a chemical compound with molecular formula C16H22Cl2N2O2 and molecular weight 344.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N-(2-chloro-6-methylphenyl)carbamate;hydrochloride
Also Known As: 1-alpha-H,5-alpha-H-Tropan-3-alpha-ol, 2-chloro-6-methylcarbanilate (ester), monohydrochloride, [ -8-methyl-8-azabicyclo[3.2.1]oct-3-yl]N- carbamatehydrochloride, [-8-methyl-8-azabicyclo[3.2.1]oct-3-yl]n- carbamatehydrochloride, [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N-(2-chloro-6-methylphenyl)carbamate hydrochloride, [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N-(2-chloro-6-methylphenyl)carbamate;hydrochloride
| Molecular Formula | C16H22Cl2N2O2 |
|---|---|
| Molecular Weight | 344.11 g/mol |
| LogP | 4.24392 |
| Topological Polar Surface Area | 41.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 344.10583 |
| Heavy Atoms | 22 |
| Complexity | 378.0 |
Chemical Identifiers
| CAS Number | 29364-17-8 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)Cl)NC(=O)OC2C[C@H]3CC[C@@H](C2)N3C.Cl |
| InChIKey | FCVXCPBLUGFRKS-KOQCZNHOSA-N |
Product Overview
1-alpha-H,5-alpha-H-Tropan-3-alpha-ol, 2-chloro-6-methylcarbanilate (ester), monohydrochloride (CAS 29364-17-8), with molecular formula C16H22Cl2N2O2 and molecular weight 344.11 g/mol. IUPAC: [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N-(2-chloro-6-methylphenyl)carbamate;hydrochloride.
Chemical Property Profile of 1-alpha-H,5-alpha-H-Tropan-3-alpha-ol, 2-chloro-6-methylcarbanilate (ester), monohydrochloride
Property Insights of 1-alpha-H,5-alpha-H-Tropan-3-alpha-ol, 2-chloro-6-methylcarbanilate (ester), monohydrochloride
The XLogP value of 4.24392 indicates that 1-alpha-H,5-alpha-H-Tropan-3-alpha-ol, 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, 1-alpha-H,5-alpha-H-Tropan-3-alpha-ol, 2-chloro-6-methylcarbanilate (ester), monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-alpha-H,5-alpha-H-Tropan-3-alpha-ol, 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 1-alpha-H,5-alpha-H-Tropan-3-alpha-ol, 2-chloro-6-methylcarbanilate (ester), monohydrochloride?
The CAS number of 1-alpha-H,5-alpha-H-Tropan-3-alpha-ol, 2-chloro-6-methylcarbanilate (ester), monohydrochloride is 29364-17-8.
What is the molecular formula of 1-alpha-H,5-alpha-H-Tropan-3-alpha-ol, 2-chloro-6-methylcarbanilate (ester), monohydrochloride?
The molecular formula of 1-alpha-H,5-alpha-H-Tropan-3-alpha-ol, 2-chloro-6-methylcarbanilate (ester), monohydrochloride is C16H22Cl2N2O2.
What is the molecular weight of 1-alpha-H,5-alpha-H-Tropan-3-alpha-ol, 2-chloro-6-methylcarbanilate (ester), monohydrochloride?
The molecular weight of 1-alpha-H,5-alpha-H-Tropan-3-alpha-ol, 2-chloro-6-methylcarbanilate (ester), monohydrochloride is 344.11 g/mol.
Where can I buy 1-alpha-H,5-alpha-H-Tropan-3-alpha-ol, 2-chloro-6-methylcarbanilate (ester), monohydrochloride?
You can request a quote for 1-alpha-H,5-alpha-H-Tropan-3-alpha-ol, 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 1-alpha-H,5-alpha-H-Tropan-3-alpha-ol, 2-chloro-6-methylcarbanilate (ester), monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1-alpha-H,5-alpha-H-Tropan-3-alpha-ol, 2-chloro-6-methylcarbanilate (ester), monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.