RefChem:71635
TL;DR: RefChem:71635 (CAS 68877-56-5) is a chemical compound with molecular formula C18H21N3O6 and molecular weight 375.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-N,4-N-diethylbenzene-1,4-diamine;3-nitrophthalic acid
Also Known As: 3-Nitrophthalic acid N,N-diethyl-p-phenylenediamine salt, N,N-Diethyl-p-phenylenediamine 3-nitrophthalate, N,N-Diethyl-1,4-benzenediamine 3-nitrophthalate, 1,2-benzenedicarboxylic acid,3-nitro-, compd. with n,n-diethyl-1,4-benzenediamine(1:1), 4-N,4-N-diethylbenzene-1,4-diamine; 3-nitrophthalic acid
| Molecular Formula | C18H21N3O6 |
|---|---|
| Molecular Weight | 375.14 g/mol |
| LogP | 3.11 |
| Topological Polar Surface Area | 150.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 375.14304 |
| Heavy Atoms | 27 |
| Complexity | 409.0 |
Chemical Identifiers
| CAS Number | 68877-56-5 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)N.C1=CC(=C(C(=C1)[N+](=O)[O-])C(=O)O)C(=O)O |
| InChIKey | YJHRAFPXQMBQJP-UHFFFAOYSA-N |
Product Overview
RefChem:71635 (CAS 68877-56-5), with molecular formula C18H21N3O6 and molecular weight 375.14 g/mol. IUPAC: 4-N,4-N-diethylbenzene-1,4-diamine;3-nitrophthalic acid.
Chemical Property Profile of RefChem:71635
Property Insights of RefChem:71635
The XLogP value of 3.11 indicates that RefChem:71635 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 150.0 Ų indicates high polarity, suggesting RefChem:71635 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:71635 has 3 hydrogen bond donor(s) and 8 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 RefChem:71635?
The CAS number of RefChem:71635 is 68877-56-5.
What is the molecular formula of RefChem:71635?
The molecular formula of RefChem:71635 is C18H21N3O6.
What is the molecular weight of RefChem:71635?
The molecular weight of RefChem:71635 is 375.14 g/mol.
Where can I buy RefChem:71635?
You can request a quote for RefChem:71635 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:71635?
Yes, KEHONG BIO provides custom synthesis services for RefChem:71635 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.