3,8-Diazabicyclo(3.2.1)octane-3-propanol, alpha,alpha-dimethyl-8-propionyl-, p-chlorobenzoate, hydrochloride
TL;DR: 3,8-Diazabicyclo(3.2.1)octane-3-propanol, alpha,alpha-dimethyl-8-propionyl-, p-chlorobenzoate, hydrochloride (CAS 67572-31-0) is a chemical compound with molecular formula C21H30Cl2N2O3 and molecular weight 428.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-methyl-4-(8-propanoyl-3,8-diazabicyclo[3.2.1]octan-3-yl)butan-2-yl] 4-chlorobenzoate;hydrochloride
Also Known As: 3,8-Diazabicyclo(3.2.1)octane-3-propanol, alpha,alpha-dimethyl-8-propionyl-, p-chlorobenzoate, hydrochloride, [2-methyl-4-(8-propanoyl-3,8-diazabicyclo[3.2.1]octan-3-yl)butan-2-yl] 4-chlorobenzoate hydrochloride, 2-Methyl-4-(8-propanoyl-3,8-diazabicyclo[3.2.1]octan-3-yl)butan-2-yl 4-chlorobenzoate--hydrogen chloride (1/1), RefChem:272743
| Molecular Formula | C21H30Cl2N2O3 |
|---|---|
| Molecular Weight | 428.16 g/mol |
| LogP | 4.1725 |
| Topological Polar Surface Area | 49.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 428.16336 |
| Heavy Atoms | 28 |
| Complexity | 679.39606 |
Chemical Identifiers
| CAS Number | 67572-31-0 |
|---|---|
| SMILES | CCC(=O)N1C2CCC1CN(C2)CCC(C)(C)OC(=O)C3=CC=C(C=C3)Cl.Cl |
Product Overview
3,8-Diazabicyclo(3.2.1)octane-3-propanol, alpha,alpha-dimethyl-8-propionyl-, p-chlorobenzoate, hydrochloride (CAS 67572-31-0), with molecular formula C21H30Cl2N2O3 and molecular weight 428.16 g/mol. IUPAC: [2-methyl-4-(8-propanoyl-3,8-diazabicyclo[3.2.1]octan-3-yl)butan-2-yl] 4-chlorobenzoate;hydrochloride.
Chemical Property Profile of 3,8-Diazabicyclo(3.2.1)octane-3-propanol, alpha,alpha-dimethyl-8-propionyl-, p-chlorobenzoate, hydrochloride
Property Insights of 3,8-Diazabicyclo(3.2.1)octane-3-propanol, alpha,alpha-dimethyl-8-propionyl-, p-chlorobenzoate, hydrochloride
The XLogP value of 4.1725 indicates that 3,8-Diazabicyclo(3.2.1)octane-3-propanol, alpha,alpha-dimethyl-8-propionyl-, p-chlorobenzoate, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.85 Ų, 3,8-Diazabicyclo(3.2.1)octane-3-propanol, alpha,alpha-dimethyl-8-propionyl-, p-chlorobenzoate, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,8-Diazabicyclo(3.2.1)octane-3-propanol, alpha,alpha-dimethyl-8-propionyl-, p-chlorobenzoate, hydrochloride has 0 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 3,8-Diazabicyclo(3.2.1)octane-3-propanol, alpha,alpha-dimethyl-8-propionyl-, p-chlorobenzoate, hydrochloride?
The CAS number of 3,8-Diazabicyclo(3.2.1)octane-3-propanol, alpha,alpha-dimethyl-8-propionyl-, p-chlorobenzoate, hydrochloride is 67572-31-0.
What is the molecular formula of 3,8-Diazabicyclo(3.2.1)octane-3-propanol, alpha,alpha-dimethyl-8-propionyl-, p-chlorobenzoate, hydrochloride?
The molecular formula of 3,8-Diazabicyclo(3.2.1)octane-3-propanol, alpha,alpha-dimethyl-8-propionyl-, p-chlorobenzoate, hydrochloride is C21H30Cl2N2O3.
What is the molecular weight of 3,8-Diazabicyclo(3.2.1)octane-3-propanol, alpha,alpha-dimethyl-8-propionyl-, p-chlorobenzoate, hydrochloride?
The molecular weight of 3,8-Diazabicyclo(3.2.1)octane-3-propanol, alpha,alpha-dimethyl-8-propionyl-, p-chlorobenzoate, hydrochloride is 428.16 g/mol.
Where can I buy 3,8-Diazabicyclo(3.2.1)octane-3-propanol, alpha,alpha-dimethyl-8-propionyl-, p-chlorobenzoate, hydrochloride?
You can request a quote for 3,8-Diazabicyclo(3.2.1)octane-3-propanol, alpha,alpha-dimethyl-8-propionyl-, p-chlorobenzoate, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,8-Diazabicyclo(3.2.1)octane-3-propanol, alpha,alpha-dimethyl-8-propionyl-, p-chlorobenzoate, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 3,8-Diazabicyclo(3.2.1)octane-3-propanol, alpha,alpha-dimethyl-8-propionyl-, p-chlorobenzoate, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.