N-(3,4-Dichlorophenyl)-N',N''-dipropan-2-ylguanidine
TL;DR: N-(3,4-Dichlorophenyl)-N',N''-dipropan-2-ylguanidine (CAS 17826-45-8) is a chemical compound with molecular formula C13H19Cl2N3 and molecular weight 287.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dichlorophenyl)-2,3-di(propan-2-yl)guanidine
Also Known As: Bayer 80565, 2-(3,4-Dichlorophenyl)-1,3-diisopropylguanidine, N-(3,4-Dichlorophenyl)-N',N''-dipropan-2-ylguanidine, GUANIDINE, 2-(3,4-DICHLOROPHENYL)-1,3-DIISOPROPYL-, 1-(3,4-dichlorophenyl)-2,3-di(propan-2-yl)guanidine
| Molecular Formula | C13H19Cl2N3 |
|---|---|
| Molecular Weight | 287.10 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 36.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 287.0956 |
| Heavy Atoms | 18 |
| Complexity | 279.0 |
Chemical Identifiers
| CAS Number | 17826-45-8 |
|---|---|
| SMILES | CC(C)NC(=NC(C)C)NC1=CC(=C(C=C1)Cl)Cl |
| InChIKey | XHRFOWAEJQVERX-UHFFFAOYSA-N |
Product Overview
N-(3,4-Dichlorophenyl)-N',N''-dipropan-2-ylguanidine (CAS 17826-45-8), with molecular formula C13H19Cl2N3 and molecular weight 287.10 g/mol. IUPAC: 1-(3,4-dichlorophenyl)-2,3-di(propan-2-yl)guanidine.
Chemical Property Profile of N-(3,4-Dichlorophenyl)-N',N''-dipropan-2-ylguanidine
Property Insights of N-(3,4-Dichlorophenyl)-N',N''-dipropan-2-ylguanidine
The XLogP value of 4.6 indicates that N-(3,4-Dichlorophenyl)-N',N''-dipropan-2-ylguanidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.4 Ų, N-(3,4-Dichlorophenyl)-N',N''-dipropan-2-ylguanidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3,4-Dichlorophenyl)-N',N''-dipropan-2-ylguanidine has 2 hydrogen bond donor(s) and 1 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-(3,4-Dichlorophenyl)-N',N''-dipropan-2-ylguanidine?
The CAS number of N-(3,4-Dichlorophenyl)-N',N''-dipropan-2-ylguanidine is 17826-45-8.
What is the molecular formula of N-(3,4-Dichlorophenyl)-N',N''-dipropan-2-ylguanidine?
The molecular formula of N-(3,4-Dichlorophenyl)-N',N''-dipropan-2-ylguanidine is C13H19Cl2N3.
What is the molecular weight of N-(3,4-Dichlorophenyl)-N',N''-dipropan-2-ylguanidine?
The molecular weight of N-(3,4-Dichlorophenyl)-N',N''-dipropan-2-ylguanidine is 287.10 g/mol.
Where can I buy N-(3,4-Dichlorophenyl)-N',N''-dipropan-2-ylguanidine?
You can request a quote for N-(3,4-Dichlorophenyl)-N',N''-dipropan-2-ylguanidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3,4-Dichlorophenyl)-N',N''-dipropan-2-ylguanidine?
Yes, KEHONG BIO provides custom synthesis services for N-(3,4-Dichlorophenyl)-N',N''-dipropan-2-ylguanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.