p-Toluic acid, alpha-(2-bornylamino)-, methyl ester, hydrobromide, endo-(+-)-
TL;DR: p-Toluic acid, alpha-(2-bornylamino)-, methyl ester, hydrobromide, endo-(+-)- (CAS 28745-13-3) is a chemical compound with molecular formula C19H28BrNO2 and molecular weight 381.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]benzoate;hydrobromide
Also Known As: (+-)-endo-alpha-(2-Bornylamino)-p-toluic acid methyl ester hydrobromide, p-Toluic acid, alpha-(2-bornylamino)-, methyl ester, hydrobromide, endo-(+-)-, methyl 4-{[(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)amino]methyl}benzoate hydrobromide(1:1), methyl 4-[[(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl)amino]methyl]benzoate hydrobromide, methyl 4-[[(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl)amino]methyl]benzoate,hydrobromide
| Molecular Formula | C19H28BrNO2 |
|---|---|
| Molecular Weight | 381.13 g/mol |
| LogP | 4.3555 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 381.13034 |
| Heavy Atoms | 23 |
| Complexity | 425.0 |
Chemical Identifiers
| CAS Number | 28745-13-3 |
|---|---|
| SMILES | CC1(C2CCC1(C(C2)NCC3=CC=C(C=C3)C(=O)OC)C)C.Br |
| InChIKey | XNSLMWGBEXJKAL-UHFFFAOYSA-N |
Product Overview
p-Toluic acid, alpha-(2-bornylamino)-, methyl ester, hydrobromide, endo-(+-)- (CAS 28745-13-3), with molecular formula C19H28BrNO2 and molecular weight 381.13 g/mol. IUPAC: methyl 4-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]benzoate;hydrobromide.
Chemical Property Profile of p-Toluic acid, alpha-(2-bornylamino)-, methyl ester, hydrobromide, endo-(+-)-
Property Insights of p-Toluic acid, alpha-(2-bornylamino)-, methyl ester, hydrobromide, endo-(+-)-
The XLogP value of 4.3555 indicates that p-Toluic acid, alpha-(2-bornylamino)-, methyl ester, hydrobromide, endo-(+-)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, p-Toluic acid, alpha-(2-bornylamino)-, methyl ester, hydrobromide, endo-(+-)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Toluic acid, alpha-(2-bornylamino)-, methyl ester, hydrobromide, endo-(+-)- has 2 hydrogen bond donor(s) and 3 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 p-Toluic acid, alpha-(2-bornylamino)-, methyl ester, hydrobromide, endo-(+-)-?
The CAS number of p-Toluic acid, alpha-(2-bornylamino)-, methyl ester, hydrobromide, endo-(+-)- is 28745-13-3.
What is the molecular formula of p-Toluic acid, alpha-(2-bornylamino)-, methyl ester, hydrobromide, endo-(+-)-?
The molecular formula of p-Toluic acid, alpha-(2-bornylamino)-, methyl ester, hydrobromide, endo-(+-)- is C19H28BrNO2.
What is the molecular weight of p-Toluic acid, alpha-(2-bornylamino)-, methyl ester, hydrobromide, endo-(+-)-?
The molecular weight of p-Toluic acid, alpha-(2-bornylamino)-, methyl ester, hydrobromide, endo-(+-)- is 381.13 g/mol.
Where can I buy p-Toluic acid, alpha-(2-bornylamino)-, methyl ester, hydrobromide, endo-(+-)-?
You can request a quote for p-Toluic acid, alpha-(2-bornylamino)-, methyl ester, hydrobromide, endo-(+-)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Toluic acid, alpha-(2-bornylamino)-, methyl ester, hydrobromide, endo-(+-)-?
Yes, KEHONG BIO provides custom synthesis services for p-Toluic acid, alpha-(2-bornylamino)-, methyl ester, hydrobromide, endo-(+-)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.