RefChem:1054822
TL;DR: RefChem:1054822 (CAS 29364-10-1) is a chemical compound with molecular formula C19H26N2O4 and molecular weight 346.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1S,2R,3S,5R)-3-[(2,6-dimethylphenyl)carbamoyloxy]-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
Also Known As: 1-alpha-H,5-alpha-H-Tropane-2-beta-carboxylic acid, 3-beta-hydroxy-, methyl ester, 2,6-dimethylcarbanilate (ester), 1aH,5aH-Tropane-2b-carboxylic acid, 3b-hydroxy-, methyl ester, 2,6-dimethylcarbanilate(ester) (8CI), RefChem:1054822
| Molecular Formula | C19H26N2O4 |
|---|---|
| Molecular Weight | 346.19 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 67.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 346.18927 |
| Heavy Atoms | 25 |
| Complexity | 502.0 |
Chemical Identifiers
| CAS Number | 29364-10-1 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)NC(=O)O[C@H]2C[C@H]3CC[C@@H]([C@H]2C(=O)OC)N3C |
| InChIKey | CLGLNSPUISIESR-FXUDXRNXSA-N |
Product Overview
RefChem:1054822 (CAS 29364-10-1), with molecular formula C19H26N2O4 and molecular weight 346.19 g/mol. IUPAC: methyl (1S,2R,3S,5R)-3-[(2,6-dimethylphenyl)carbamoyloxy]-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate.
Chemical Property Profile of RefChem:1054822
Property Insights of RefChem:1054822
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1054822. The TPSA of 67.9 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1054822. Following Lipinski's Rule of Five, RefChem:1054822 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 RefChem:1054822?
The CAS number of RefChem:1054822 is 29364-10-1.
What is the molecular formula of RefChem:1054822?
The molecular formula of RefChem:1054822 is C19H26N2O4.
What is the molecular weight of RefChem:1054822?
The molecular weight of RefChem:1054822 is 346.19 g/mol.
Where can I buy RefChem:1054822?
You can request a quote for RefChem:1054822 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1054822?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1054822 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.