![3-Aminobicyclo[2.2.1]hept-5-ene-2-carboxylic acid;benzenesulfonic acid structure](/static/products/6303/6303-44-2.webp)
3-Aminobicyclo[2.2.1]hept-5-ene-2-carboxylic acid;benzenesulfonic acid
TL;DR: 3-Aminobicyclo[2.2.1]hept-5-ene-2-carboxylic acid;benzenesulfonic acid (CAS 6303-44-2) is a chemical compound with molecular formula C14H17NO5S and molecular weight 311.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-aminobicyclo[2.2.1]hept-5-ene-2-carboxylic acid;benzenesulfonic acid
Also Known As: 3t-<4-Methyl-piperazino>-acrylonitril, NCI60_000670, 6-Aminobicyclo[2.2.1]hept-2-ene-5-carboxylic acid, 3-aminobicyclo[2.2.1]hept-5-ene-2-carboxylic acid benzenesulfonate(1:1), 3-aminobicyclo[2.2.1]hept-5-ene-2-carboxylic acid,benzenesul
| Molecular Formula | C14H17NO5S |
|---|---|
| Molecular Weight | 311.08 g/mol |
| LogP | 1.1537 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 311.08273 |
| Heavy Atoms | 21 |
| Complexity | 408.0 |
Chemical Identifiers
| CAS Number | 6303-44-2 |
|---|---|
| SMILES | C1C2C=CC1C(C2C(=O)O)N.C1=CC=C(C=C1)S(=O)(=O)O |
| InChIKey | HMAACEFNTSHBSC-UHFFFAOYSA-N |
Product Overview
3-Aminobicyclo[2.2.1]hept-5-ene-2-carboxylic acid;benzenesulfonic acid (CAS 6303-44-2), with molecular formula C14H17NO5S and molecular weight 311.08 g/mol. IUPAC: 3-aminobicyclo[2.2.1]hept-5-ene-2-carboxylic acid;benzenesulfonic acid.
Chemical Property Profile of 3-Aminobicyclo[2.2.1]hept-5-ene-2-carboxylic acid;benzenesulfonic acid
Property Insights of 3-Aminobicyclo[2.2.1]hept-5-ene-2-carboxylic acid;benzenesulfonic acid
The XLogP value of 1.1537 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Aminobicyclo[2.2.1]hept-5-ene-2-carboxylic acid;benzenesulfonic acid. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Aminobicyclo[2.2.1]hept-5-ene-2-carboxylic acid;benzenesulfonic acid. Following Lipinski's Rule of Five, 3-Aminobicyclo[2.2.1]hept-5-ene-2-carboxylic acid;benzenesulfonic acid has 3 hydrogen bond donor(s) and 6 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-Aminobicyclo[2.2.1]hept-5-ene-2-carboxylic acid;benzenesulfonic acid?
The CAS number of 3-Aminobicyclo[2.2.1]hept-5-ene-2-carboxylic acid;benzenesulfonic acid is 6303-44-2.
What is the molecular formula of 3-Aminobicyclo[2.2.1]hept-5-ene-2-carboxylic acid;benzenesulfonic acid?
The molecular formula of 3-Aminobicyclo[2.2.1]hept-5-ene-2-carboxylic acid;benzenesulfonic acid is C14H17NO5S.
What is the molecular weight of 3-Aminobicyclo[2.2.1]hept-5-ene-2-carboxylic acid;benzenesulfonic acid?
The molecular weight of 3-Aminobicyclo[2.2.1]hept-5-ene-2-carboxylic acid;benzenesulfonic acid is 311.08 g/mol.
Where can I buy 3-Aminobicyclo[2.2.1]hept-5-ene-2-carboxylic acid;benzenesulfonic acid?
You can request a quote for 3-Aminobicyclo[2.2.1]hept-5-ene-2-carboxylic acid;benzenesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Aminobicyclo[2.2.1]hept-5-ene-2-carboxylic acid;benzenesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Aminobicyclo[2.2.1]hept-5-ene-2-carboxylic acid;benzenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.