Contac
TL;DR: Contac (CAS 51005-27-7) is a chemical compound with molecular formula C29H37Cl2N3O5 and molecular weight 577.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-1-phenylpropan-1-ol;(E)-4-(4-chlorophenoxy)-4-oxobut-2-enoic acid;N,N-dimethyl-3-pyridin-2-ylpropan-1-amine;hydrochloride
Also Known As: Contac, Benzenemethanol, alpha-(1-aminoethyl)-, hydrochloride, mixt. with belladonna alkaloids, and gamma-(4-chlorophenyl)-N,N-dimethyl-2-pyridinepropanamine (Z)-2-butenedioate (1:1), 2-amino-1-phenylpropan-1-ol; (E)-4-(4-chlorophenoxy)-4-oxobut-2-enoic acid; N,N-dimethyl-3-pyridin-2-ylpropan-1-amine; hydrochloride, RefChem:1082138
| Molecular Formula | C29H37Cl2N3O5 |
|---|---|
| Molecular Weight | 577.21 g/mol |
| LogP | 4.951 |
| Topological Polar Surface Area | 125.98 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 577.211 |
| Heavy Atoms | 39 |
| Complexity | 1096.9255 |
Chemical Identifiers
| CAS Number | 51005-27-7 |
|---|---|
| SMILES | CC(C(C1=CC=CC=C1)O)N.CN(C)CCCC1=CC=CC=N1.C1=CC(=CC=C1OC(=O)/C=C/C(=O)O)Cl.Cl |
Product Overview
Contac (CAS 51005-27-7), with molecular formula C29H37Cl2N3O5 and molecular weight 577.21 g/mol. IUPAC: 2-amino-1-phenylpropan-1-ol;(E)-4-(4-chlorophenoxy)-4-oxobut-2-enoic acid;N,N-dimethyl-3-pyridin-2-ylpropan-1-amine;hydrochloride.
Chemical Property Profile of Contac
Property Insights of Contac
The XLogP value of 4.951 indicates that Contac is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.98 Ų falls within the moderate polarity range, balancing permeability and solubility for Contac. Following Lipinski's Rule of Five, Contac has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Contac?
The CAS number of Contac is 51005-27-7.
What is the molecular formula of Contac?
The molecular formula of Contac is C29H37Cl2N3O5.
What is the molecular weight of Contac?
The molecular weight of Contac is 577.21 g/mol.
Where can I buy Contac?
You can request a quote for Contac directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Contac?
Yes, KEHONG BIO provides custom synthesis services for Contac and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.