n*1*-Anthracen-9-ylmethyl-propane-1,3-diamine
TL;DR: n*1*-Anthracen-9-ylmethyl-propane-1,3-diamine (CAS 886987-14-0) is a chemical compound with molecular formula C12H14Cl2N2O3S and molecular weight 336.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-cyclopropyl-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide
Also Known As: n*1*-Anthracen-9-ylmethyl-propane-1,3-diamine, N-cyclopropyl-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide, N-cyclopropyl-2-[(2,5-dichlorophenyl)-methylsulfonyl-amino]acetamide, N-cyclopropyl-N~2~-(2,5-dichlorophenyl)-N~2~-(methylsulfonyl)glycinamide, N~1~-cyclopropyl-N~2~-(2,5-dichlorophenyl)-N~2~-(methylsulfonyl)glycinamide
| Molecular Formula | C12H14Cl2N2O3S |
|---|---|
| Molecular Weight | 336.01 g/mol |
| LogP | 2.038 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 336.01022 |
| Heavy Atoms | 20 |
| Complexity | 629.58966 |
Chemical Identifiers
| CAS Number | 886987-14-0 |
|---|---|
| SMILES | CS(=O)(=O)N(CC(=O)NC1CC1)C2=C(C=CC(=C2)Cl)Cl |
Product Overview
n*1*-Anthracen-9-ylmethyl-propane-1,3-diamine (CAS 886987-14-0), with molecular formula C12H14Cl2N2O3S and molecular weight 336.01 g/mol. IUPAC: N-cyclopropyl-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide.
Chemical Property Profile of n*1*-Anthracen-9-ylmethyl-propane-1,3-diamine
Property Insights of n*1*-Anthracen-9-ylmethyl-propane-1,3-diamine
The XLogP value of 2.038 suggests moderate lipophilicity, balancing water solubility and membrane permeability for n*1*-Anthracen-9-ylmethyl-propane-1,3-diamine. The TPSA of 66.48 Ų falls within the moderate polarity range, balancing permeability and solubility for n*1*-Anthracen-9-ylmethyl-propane-1,3-diamine. Following Lipinski's Rule of Five, n*1*-Anthracen-9-ylmethyl-propane-1,3-diamine has 1 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 n*1*-Anthracen-9-ylmethyl-propane-1,3-diamine?
The CAS number of n*1*-Anthracen-9-ylmethyl-propane-1,3-diamine is 886987-14-0.
What is the molecular formula of n*1*-Anthracen-9-ylmethyl-propane-1,3-diamine?
The molecular formula of n*1*-Anthracen-9-ylmethyl-propane-1,3-diamine is C12H14Cl2N2O3S.
What is the molecular weight of n*1*-Anthracen-9-ylmethyl-propane-1,3-diamine?
The molecular weight of n*1*-Anthracen-9-ylmethyl-propane-1,3-diamine is 336.01 g/mol.
Where can I buy n*1*-Anthracen-9-ylmethyl-propane-1,3-diamine?
You can request a quote for n*1*-Anthracen-9-ylmethyl-propane-1,3-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n*1*-Anthracen-9-ylmethyl-propane-1,3-diamine?
Yes, KEHONG BIO provides custom synthesis services for n*1*-Anthracen-9-ylmethyl-propane-1,3-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.