RefChem:227438
TL;DR: RefChem:227438 (CAS 29364-13-4) is a chemical compound with molecular formula C17H23ClN2O4 and molecular weight 354.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1S,2S,3S,5R)-8-methyl-3-(phenylcarbamoyloxy)-8-azabicyclo[3.2.1]octane-2-carboxylate;hydrochloride
Also Known As: 1-alpha-H,5-alpha-H-Tropane-2-alpha-carboxylic acid, 3-beta-hydroxy-, methyl ester, carbanilate (ester), monohydrochloride, Methyl (1S,2S,3S,5R)-3-[hydroxy(phenylimino)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate--hydrogen chloride (1/1), methyl (1s,2s,3s,5r)-8-methyl-3-(phenylcarbamoyloxy)-8-azabicyclo[3.2.1]octane-2-carboxylate hydrochloride, Methyl 3-[hydroxy(phenylimino)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate--hydrogen chloride (1/1), RefChem:227438
| Molecular Formula | C17H23ClN2O4 |
|---|---|
| Molecular Weight | 354.13 g/mol |
| LogP | 2.6812 |
| Topological Polar Surface Area | 67.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 354.13464 |
| Heavy Atoms | 24 |
| Complexity | 450.0 |
Chemical Identifiers
| CAS Number | 29364-13-4 |
|---|---|
| SMILES | CN1[C@@H]2CC[C@H]1[C@@H]([C@H](C2)OC(=O)NC3=CC=CC=C3)C(=O)OC.Cl |
| InChIKey | LRFUXZKDDMJTSL-SJFOYXCYSA-N |
Product Overview
RefChem:227438 (CAS 29364-13-4), with molecular formula C17H23ClN2O4 and molecular weight 354.13 g/mol. IUPAC: methyl (1S,2S,3S,5R)-8-methyl-3-(phenylcarbamoyloxy)-8-azabicyclo[3.2.1]octane-2-carboxylate;hydrochloride.
Chemical Property Profile of RefChem:227438
Property Insights of RefChem:227438
The XLogP value of 2.6812 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:227438. The TPSA of 67.9 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:227438. Following Lipinski's Rule of Five, RefChem:227438 has 2 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:227438?
The CAS number of RefChem:227438 is 29364-13-4.
What is the molecular formula of RefChem:227438?
The molecular formula of RefChem:227438 is C17H23ClN2O4.
What is the molecular weight of RefChem:227438?
The molecular weight of RefChem:227438 is 354.13 g/mol.
Where can I buy RefChem:227438?
You can request a quote for RefChem:227438 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:227438?
Yes, KEHONG BIO provides custom synthesis services for RefChem:227438 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.