1,4-Pentanediamine, N4-(6-methoxy-4,5-dimethyl-8-quinolinyl)-, (2Z)-2-butenedioate (1:1)
TL;DR: 1,4-Pentanediamine, N4-(6-methoxy-4,5-dimethyl-8-quinolinyl)-, (2Z)-2-butenedioate (1:1) (CAS 76100-57-7) is a chemical compound with molecular formula C21H29N3O5 and molecular weight 403.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-but-2-enedioic acid;4-N-(6-methoxy-4,5-dimethylquinolin-8-yl)pentane-1,4-diamine
Also Known As: 1,4-Pentanediamine, N4-(6-methoxy-4,5-dimethyl-8-quinolinyl)-, (2Z)-2-butenedioate (1:1), (Z)-but-2-enedioic acid; 4-N-(6-methoxy-4,5-dimethylquinolin-8-yl)pentane-1,4-diamine, (Z)-but-2-enedioic acid;4-N-(6-methoxy-4,5-dimethylquinolin-8-yl)pentane-1,4-diamine
| Molecular Formula | C21H29N3O5 |
|---|---|
| Molecular Weight | 403.21 g/mol |
| LogP | 3.11134 |
| Topological Polar Surface Area | 134.77 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 403.21072 |
| Heavy Atoms | 29 |
| Complexity | 864.2359 |
Chemical Identifiers
| CAS Number | 76100-57-7 |
|---|---|
| SMILES | CC1=C2C(=C(C=C(C2=NC=C1)NC(C)CCCN)OC)C.C(=C\C(=O)O)\C(=O)O |
Product Overview
1,4-Pentanediamine, N4-(6-methoxy-4,5-dimethyl-8-quinolinyl)-, (2Z)-2-butenedioate (1:1) (CAS 76100-57-7), with molecular formula C21H29N3O5 and molecular weight 403.21 g/mol. IUPAC: (Z)-but-2-enedioic acid;4-N-(6-methoxy-4,5-dimethylquinolin-8-yl)pentane-1,4-diamine.
Chemical Property Profile of 1,4-Pentanediamine, N4-(6-methoxy-4,5-dimethyl-8-quinolinyl)-, (2Z)-2-butenedioate (1:1)
Property Insights of 1,4-Pentanediamine, N4-(6-methoxy-4,5-dimethyl-8-quinolinyl)-, (2Z)-2-butenedioate (1:1)
The XLogP value of 3.11134 indicates that 1,4-Pentanediamine, N4-(6-methoxy-4,5-dimethyl-8-quinolinyl)-, (2Z)-2-butenedioate (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 134.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Pentanediamine, N4-(6-methoxy-4,5-dimethyl-8-quinolinyl)-, (2Z)-2-butenedioate (1:1). Following Lipinski's Rule of Five, 1,4-Pentanediamine, N4-(6-methoxy-4,5-dimethyl-8-quinolinyl)-, (2Z)-2-butenedioate (1:1) has 4 hydrogen bond donor(s) and 6 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 1,4-Pentanediamine, N4-(6-methoxy-4,5-dimethyl-8-quinolinyl)-, (2Z)-2-butenedioate (1:1)?
The CAS number of 1,4-Pentanediamine, N4-(6-methoxy-4,5-dimethyl-8-quinolinyl)-, (2Z)-2-butenedioate (1:1) is 76100-57-7.
What is the molecular formula of 1,4-Pentanediamine, N4-(6-methoxy-4,5-dimethyl-8-quinolinyl)-, (2Z)-2-butenedioate (1:1)?
The molecular formula of 1,4-Pentanediamine, N4-(6-methoxy-4,5-dimethyl-8-quinolinyl)-, (2Z)-2-butenedioate (1:1) is C21H29N3O5.
What is the molecular weight of 1,4-Pentanediamine, N4-(6-methoxy-4,5-dimethyl-8-quinolinyl)-, (2Z)-2-butenedioate (1:1)?
The molecular weight of 1,4-Pentanediamine, N4-(6-methoxy-4,5-dimethyl-8-quinolinyl)-, (2Z)-2-butenedioate (1:1) is 403.21 g/mol.
Where can I buy 1,4-Pentanediamine, N4-(6-methoxy-4,5-dimethyl-8-quinolinyl)-, (2Z)-2-butenedioate (1:1)?
You can request a quote for 1,4-Pentanediamine, N4-(6-methoxy-4,5-dimethyl-8-quinolinyl)-, (2Z)-2-butenedioate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Pentanediamine, N4-(6-methoxy-4,5-dimethyl-8-quinolinyl)-, (2Z)-2-butenedioate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Pentanediamine, N4-(6-methoxy-4,5-dimethyl-8-quinolinyl)-, (2Z)-2-butenedioate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.