Dodecyl 4-chloro-3,5-diaminobenzoate
TL;DR: Dodecyl 4-chloro-3,5-diaminobenzoate (CAS 68599-63-3) is a chemical compound with molecular formula C19H31ClN2O2 and molecular weight 354.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dodecyl 3,5-diamino-4-chlorobenzoate
Also Known As: Dodecyl 4-chloro-3,5-diaminobenzoate, dodecyl 3,5-diamino-4-chlorobenzoate, EINECS 271-618-8, 3,5-Diamino-4-chlorobenzoic acid dodecyl ester
| Molecular Formula | C19H31ClN2O2 |
|---|---|
| Molecular Weight | 354.21 g/mol |
| LogP | 5.5821 |
| Topological Polar Surface Area | 78.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 354.2074 |
| Heavy Atoms | 24 |
| Complexity | 483.1353 |
Chemical Identifiers
| CAS Number | 68599-63-3 |
|---|---|
| SMILES | CCCCCCCCCCCCOC(=O)C1=CC(=C(C(=C1)N)Cl)N |
Product Overview
Dodecyl 4-chloro-3,5-diaminobenzoate (CAS 68599-63-3), with molecular formula C19H31ClN2O2 and molecular weight 354.21 g/mol. IUPAC: dodecyl 3,5-diamino-4-chlorobenzoate.
Chemical Property Profile of Dodecyl 4-chloro-3,5-diaminobenzoate
Property Insights of Dodecyl 4-chloro-3,5-diaminobenzoate
The XLogP value of 5.5821 indicates that Dodecyl 4-chloro-3,5-diaminobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.34 Ų falls within the moderate polarity range, balancing permeability and solubility for Dodecyl 4-chloro-3,5-diaminobenzoate. Following Lipinski's Rule of Five, Dodecyl 4-chloro-3,5-diaminobenzoate has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dodecyl 4-chloro-3,5-diaminobenzoate?
The CAS number of Dodecyl 4-chloro-3,5-diaminobenzoate is 68599-63-3.
What is the molecular formula of Dodecyl 4-chloro-3,5-diaminobenzoate?
The molecular formula of Dodecyl 4-chloro-3,5-diaminobenzoate is C19H31ClN2O2.
What is the molecular weight of Dodecyl 4-chloro-3,5-diaminobenzoate?
The molecular weight of Dodecyl 4-chloro-3,5-diaminobenzoate is 354.21 g/mol.
Where can I buy Dodecyl 4-chloro-3,5-diaminobenzoate?
You can request a quote for Dodecyl 4-chloro-3,5-diaminobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dodecyl 4-chloro-3,5-diaminobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Dodecyl 4-chloro-3,5-diaminobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.