RefChem:91368
TL;DR: RefChem:91368 (CAS 3700-60-5) is a chemical compound with molecular formula C41H80N6O3 and molecular weight 704.63 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-bis[[2-[2-(dodecylamino)ethylamino]ethylamino]methyl]-4-hydroxybenzoic acid
Also Known As: 3,5-Bis(((2-((2-(dodecylamino)ethyl)amino)ethyl)amino)methyl)-4-hydroxybenzoic acid, 3,5-BIS[[[2-[[2-(DODECYLAMINO)ETHYL]AMINO]ETHYL]AMINO]METHYL]-4-HYDROXYBENZOIC ACID, 3,5-bis{[(2-{[2-(dodecylamino)ethyl]amino}ethyl)amino]methyl}-4-hydroxybenzoic acid, 3,5-bis[[2-[2-(dodecylamino)ethylamino]ethylamino]methyl]-4-hydroxybenzoic acid, 3,5-bis[[[2-[[2- ethyl]amino]ethyl]amino]methyl]-4-hydroxybenzoicacid
| Molecular Formula | C41H80N6O3 |
|---|---|
| Molecular Weight | 704.63 g/mol |
| LogP | 7.6 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 39 |
| Exact Mass | 704.6292 |
| Heavy Atoms | 50 |
| Complexity | 668.0 |
Chemical Identifiers
| CAS Number | 3700-60-5 |
|---|---|
| SMILES | CCCCCCCCCCCCNCCNCCNCC1=CC(=CC(=C1O)CNCCNCCNCCCCCCCCCCCC)C(=O)O |
| InChIKey | KGFIROGXAACOEV-UHFFFAOYSA-N |
Product Overview
RefChem:91368 (CAS 3700-60-5), with molecular formula C41H80N6O3 and molecular weight 704.63 g/mol. IUPAC: 3,5-bis[[2-[2-(dodecylamino)ethylamino]ethylamino]methyl]-4-hydroxybenzoic acid.
Chemical Property Profile of RefChem:91368
Property Insights of RefChem:91368
The XLogP value of 7.6 indicates that RefChem:91368 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:91368. Following Lipinski's Rule of Five, RefChem:91368 has 8 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:91368?
The CAS number of RefChem:91368 is 3700-60-5.
What is the molecular formula of RefChem:91368?
The molecular formula of RefChem:91368 is C41H80N6O3.
What is the molecular weight of RefChem:91368?
The molecular weight of RefChem:91368 is 704.63 g/mol.
Where can I buy RefChem:91368?
You can request a quote for RefChem:91368 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:91368?
Yes, KEHONG BIO provides custom synthesis services for RefChem:91368 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.