RefChem:237705
TL;DR: RefChem:237705 (CAS 41920-90-5) is a chemical compound with molecular formula C22H31ClN2O5 and molecular weight 438.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4aR,9aS)-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b]pyridin-1-yl]-N-(2-chloro-6-methylphenyl)propanamide;oxalic acid
Also Known As: 1H-Cyclohepta(b)pyridine-1-propanamide, N-(2-chloro-6-methylphenyl)decahydro-, trans-, ethanedioate (1:1), 3-[(1R,7S)-8-azabicyclo[5.4.0]undec-8-yl]-N-(2-chloro-6-methyl-phenyl)propanamide; Oxalic Acid, 3-[(4aR,9aS)-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b]pyridin-1-yl]-N-(2-chloro-6-methylphenyl)propanamide; oxalic acid, Oxalic acid--N-(2-chloro-6-methylphenyl)-3-[(4aR,9aS)-decahydro-1H-cyclohepta[b]pyridin-1-yl]propanamide (1/1), RefChem:237705
| Molecular Formula | C22H31ClN2O5 |
|---|---|
| Molecular Weight | 438.19 g/mol |
| LogP | 4.17732 |
| Topological Polar Surface Area | 106.94 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 438.19214 |
| Heavy Atoms | 30 |
| Complexity | 722.79346 |
Chemical Identifiers
| CAS Number | 41920-90-5 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)Cl)NC(=O)CCN2CCC[C@@H]3[C@@H]2CCCCC3.C(=O)(C(=O)O)O |
Product Overview
RefChem:237705 (CAS 41920-90-5), with molecular formula C22H31ClN2O5 and molecular weight 438.19 g/mol. IUPAC: 3-[(4aR,9aS)-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b]pyridin-1-yl]-N-(2-chloro-6-methylphenyl)propanamide;oxalic acid.
Chemical Property Profile of RefChem:237705
Property Insights of RefChem:237705
The XLogP value of 4.17732 indicates that RefChem:237705 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.94 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:237705. Following Lipinski's Rule of Five, RefChem:237705 has 3 hydrogen bond donor(s) and 4 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:237705?
The CAS number of RefChem:237705 is 41920-90-5.
What is the molecular formula of RefChem:237705?
The molecular formula of RefChem:237705 is C22H31ClN2O5.
What is the molecular weight of RefChem:237705?
The molecular weight of RefChem:237705 is 438.19 g/mol.
Where can I buy RefChem:237705?
You can request a quote for RefChem:237705 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:237705?
Yes, KEHONG BIO provides custom synthesis services for RefChem:237705 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.