1-alpha-H,5-alpha-H-Tropan-3-beta-ol, 2-chloro-6-methylcarbanilate (ester)
TL;DR: 1-alpha-H,5-alpha-H-Tropan-3-beta-ol, 2-chloro-6-methylcarbanilate (ester) (CAS 54697-19-7) is a chemical compound with molecular formula C16H21ClN2O2 and molecular weight 308.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) N-(2-chloro-6-methylphenyl)carbamate
Also Known As: 5-21-01-00232 (Beilstein Handbook Reference), Carbamic acid, (2-chloro-6-methylphenyl)-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, exo-, 1-alpha-H,5-alpha-H-Tropan-3-beta-ol, 2-chloro-6-methylcarbanilate (ester), 8-methyl-8-azabicyclo[3.2.1]oct-3-yl(2-chloro-6-methylphenyl)carbamate, (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) N-(2-chloro-6-methylphenyl)carbamate
| Molecular Formula | C16H21ClN2O2 |
|---|---|
| Molecular Weight | 308.13 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 308.12915 |
| Heavy Atoms | 21 |
| Complexity | 378.0 |
Chemical Identifiers
| CAS Number | 54697-19-7 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)Cl)NC(=O)OC2CC3CCC(C2)N3C |
| InChIKey | GAUUSFHQQUOANG-UHFFFAOYSA-N |
Product Overview
1-alpha-H,5-alpha-H-Tropan-3-beta-ol, 2-chloro-6-methylcarbanilate (ester) (CAS 54697-19-7), with molecular formula C16H21ClN2O2 and molecular weight 308.13 g/mol. IUPAC: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) N-(2-chloro-6-methylphenyl)carbamate.
Chemical Property Profile of 1-alpha-H,5-alpha-H-Tropan-3-beta-ol, 2-chloro-6-methylcarbanilate (ester)
Property Insights of 1-alpha-H,5-alpha-H-Tropan-3-beta-ol, 2-chloro-6-methylcarbanilate (ester)
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-alpha-H,5-alpha-H-Tropan-3-beta-ol, 2-chloro-6-methylcarbanilate (ester). With a topological polar surface area (TPSA) of 41.6 Ų, 1-alpha-H,5-alpha-H-Tropan-3-beta-ol, 2-chloro-6-methylcarbanilate (ester) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-alpha-H,5-alpha-H-Tropan-3-beta-ol, 2-chloro-6-methylcarbanilate (ester) has 1 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-beta-ol, 2-chloro-6-methylcarbanilate (ester)?
The CAS number of 1-alpha-H,5-alpha-H-Tropan-3-beta-ol, 2-chloro-6-methylcarbanilate (ester) is 54697-19-7.
What is the molecular formula of 1-alpha-H,5-alpha-H-Tropan-3-beta-ol, 2-chloro-6-methylcarbanilate (ester)?
The molecular formula of 1-alpha-H,5-alpha-H-Tropan-3-beta-ol, 2-chloro-6-methylcarbanilate (ester) is C16H21ClN2O2.
What is the molecular weight of 1-alpha-H,5-alpha-H-Tropan-3-beta-ol, 2-chloro-6-methylcarbanilate (ester)?
The molecular weight of 1-alpha-H,5-alpha-H-Tropan-3-beta-ol, 2-chloro-6-methylcarbanilate (ester) is 308.13 g/mol.
Where can I buy 1-alpha-H,5-alpha-H-Tropan-3-beta-ol, 2-chloro-6-methylcarbanilate (ester)?
You can request a quote for 1-alpha-H,5-alpha-H-Tropan-3-beta-ol, 2-chloro-6-methylcarbanilate (ester) 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-beta-ol, 2-chloro-6-methylcarbanilate (ester)?
Yes, KEHONG BIO provides custom synthesis services for 1-alpha-H,5-alpha-H-Tropan-3-beta-ol, 2-chloro-6-methylcarbanilate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.