RefChem:329221
TL;DR: RefChem:329221 (CAS 17093-01-5) is a chemical compound with molecular formula C22H32ClNO3 and molecular weight 393.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1,7,7-trimethyl-3-(morpholin-4-ylmethyl)-2-bicyclo[2.2.1]heptanyl] benzoate;hydrochloride
Also Known As: Benzoato di 3-morfolinometil-2-bornanolo cloridrato [Italian], Benzoato di 3-morfolinometil-2-bornanolo cloridrato, 2-Bornanol, 3-(morpholinomethyl)-, benzoate (ester), hydrochloride, Bicyclo(2.2.1)heptan-2-ol, 3-(4-morpholinylmethyl)-1,7,7-trimethyl-, benzoate (ester), hydrochloride, [4,7,7-trimethyl-2-(morpholin-4-ylmethyl)-3-bicyclo[2.2.1]heptanyl] benzoate hydrochloride
| Molecular Formula | C22H32ClNO3 |
|---|---|
| Molecular Weight | 393.21 g/mol |
| LogP | 4.0383 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 393.20706 |
| Heavy Atoms | 27 |
| Complexity | 521.0 |
Chemical Identifiers
| CAS Number | 17093-01-5 |
|---|---|
| SMILES | CC1(C2CCC1(C(C2CN3CCOCC3)OC(=O)C4=CC=CC=C4)C)C.Cl |
| InChIKey | JZLMLSXWFDWCIF-UHFFFAOYSA-N |
Product Overview
RefChem:329221 (CAS 17093-01-5), with molecular formula C22H32ClNO3 and molecular weight 393.21 g/mol. IUPAC: [1,7,7-trimethyl-3-(morpholin-4-ylmethyl)-2-bicyclo[2.2.1]heptanyl] benzoate;hydrochloride.
Chemical Property Profile of RefChem:329221
Property Insights of RefChem:329221
The XLogP value of 4.0383 indicates that RefChem:329221 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, RefChem:329221 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:329221 has 1 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:329221?
The CAS number of RefChem:329221 is 17093-01-5.
What is the molecular formula of RefChem:329221?
The molecular formula of RefChem:329221 is C22H32ClNO3.
What is the molecular weight of RefChem:329221?
The molecular weight of RefChem:329221 is 393.21 g/mol.
Where can I buy RefChem:329221?
You can request a quote for RefChem:329221 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:329221?
Yes, KEHONG BIO provides custom synthesis services for RefChem:329221 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.