Benzoic acid, 4-(6,8-dioxa-3-azabicyclo(3.2.1)oct-5-yl)-, hydrochloride
TL;DR: Benzoic acid, 4-(6,8-dioxa-3-azabicyclo(3.2.1)oct-5-yl)-, hydrochloride (CAS 84508-86-1) is a chemical compound with molecular formula C12H14ClNO4 and molecular weight 271.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(6,8-dioxa-3-azabicyclo[3.2.1]octan-5-yl)benzoic acid;hydrochloride
Also Known As: 4- BENZOICACIDHYDROCHLORIDE, 4-(6,8-Dioxa-3-azabicyclo(3.2.1)oct-5-yl)benzoic acid hydrochloride, 4-(6,8-Dioxa-3-azabicyclo(3.2.1)-5-octanoyl)benzoic acid chlorhydrate, Benzoic acid, 4-(6,8-dioxa-3-azabicyclo(3.2.1)oct-5-yl)-, hydrochloride, 4-(6,8-dioxa-3-azabicyclo[3.2.1]octan-5-yl)benzoic acid hydrochloride
| Molecular Formula | C12H14ClNO4 |
|---|---|
| Molecular Weight | 271.06 g/mol |
| LogP | 0.978 |
| Topological Polar Surface Area | 67.79 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 271.06113 |
| Heavy Atoms | 18 |
| Complexity | 445.89557 |
Chemical Identifiers
| CAS Number | 84508-86-1 |
|---|---|
| SMILES | C1C2COC(O2)(CN1)C3=CC=C(C=C3)C(=O)O.Cl |
Product Overview
Benzoic acid, 4-(6,8-dioxa-3-azabicyclo(3.2.1)oct-5-yl)-, hydrochloride (CAS 84508-86-1), with molecular formula C12H14ClNO4 and molecular weight 271.06 g/mol. IUPAC: 4-(6,8-dioxa-3-azabicyclo[3.2.1]octan-5-yl)benzoic acid;hydrochloride.
Chemical Property Profile of Benzoic acid, 4-(6,8-dioxa-3-azabicyclo(3.2.1)oct-5-yl)-, hydrochloride
Property Insights of Benzoic acid, 4-(6,8-dioxa-3-azabicyclo(3.2.1)oct-5-yl)-, hydrochloride
The XLogP value of 0.978 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4-(6,8-dioxa-3-azabicyclo(3.2.1)oct-5-yl)-, hydrochloride. The TPSA of 67.79 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-(6,8-dioxa-3-azabicyclo(3.2.1)oct-5-yl)-, hydrochloride. Following Lipinski's Rule of Five, Benzoic acid, 4-(6,8-dioxa-3-azabicyclo(3.2.1)oct-5-yl)-, hydrochloride has 2 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 Benzoic acid, 4-(6,8-dioxa-3-azabicyclo(3.2.1)oct-5-yl)-, hydrochloride?
The CAS number of Benzoic acid, 4-(6,8-dioxa-3-azabicyclo(3.2.1)oct-5-yl)-, hydrochloride is 84508-86-1.
What is the molecular formula of Benzoic acid, 4-(6,8-dioxa-3-azabicyclo(3.2.1)oct-5-yl)-, hydrochloride?
The molecular formula of Benzoic acid, 4-(6,8-dioxa-3-azabicyclo(3.2.1)oct-5-yl)-, hydrochloride is C12H14ClNO4.
What is the molecular weight of Benzoic acid, 4-(6,8-dioxa-3-azabicyclo(3.2.1)oct-5-yl)-, hydrochloride?
The molecular weight of Benzoic acid, 4-(6,8-dioxa-3-azabicyclo(3.2.1)oct-5-yl)-, hydrochloride is 271.06 g/mol.
Where can I buy Benzoic acid, 4-(6,8-dioxa-3-azabicyclo(3.2.1)oct-5-yl)-, hydrochloride?
You can request a quote for Benzoic acid, 4-(6,8-dioxa-3-azabicyclo(3.2.1)oct-5-yl)-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-(6,8-dioxa-3-azabicyclo(3.2.1)oct-5-yl)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-(6,8-dioxa-3-azabicyclo(3.2.1)oct-5-yl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.