Hordatine A
TL;DR: Hordatine A (CAS 7073-64-5) is a chemical compound with molecular formula C28H38N8O4 and molecular weight 550.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(diaminomethylideneamino)butyl]-5-[3-[4-(diaminomethylideneamino)butylamino]-3-oxoprop-1-enyl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-carboxamide
Also Known As: Hordatine A, (2S,3S)-N-[4-(diaminomethylideneamino)butyl]-5-[(E)-3-[4-(diaminomethylideneamino)butylamino]-3-oxoprop-1-enyl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-carboxamide, N-[4-(diaminomethylideneamino)butyl]-5-[3-[4-(diaminomethylideneamino)butylamino]-3-oxoprop-1-enyl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-carboxamide
| Molecular Formula | C28H38N8O4 |
|---|---|
| Molecular Weight | 550.30 g/mol |
| LogP | 0.9623 |
| Topological Polar Surface Area | 216.46 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 14 |
| Exact Mass | 550.3016 |
| Heavy Atoms | 40 |
| Complexity | 1235.3706 |
Chemical Identifiers
| CAS Number | 7073-64-5 |
|---|---|
| SMILES | C1=CC(=CC=C1C2C(C3=C(O2)C=CC(=C3)C=CC(=O)NCCCCN=C(N)N)C(=O)NCCCCN=C(N)N)O |
Product Overview
Hordatine A (CAS 7073-64-5), with molecular formula C28H38N8O4 and molecular weight 550.30 g/mol. IUPAC: N-[4-(diaminomethylideneamino)butyl]-5-[3-[4-(diaminomethylideneamino)butylamino]-3-oxoprop-1-enyl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-carboxamide.
Chemical Property Profile of Hordatine A
Property Insights of Hordatine A
The XLogP value of 0.9623 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hordatine A. The TPSA of 216.46 Ų indicates high polarity, suggesting Hordatine A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Hordatine A has 7 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hordatine A?
The CAS number of Hordatine A is 7073-64-5.
What is the molecular formula of Hordatine A?
The molecular formula of Hordatine A is C28H38N8O4.
What is the molecular weight of Hordatine A?
The molecular weight of Hordatine A is 550.30 g/mol.
Where can I buy Hordatine A?
You can request a quote for Hordatine A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hordatine A?
Yes, KEHONG BIO provides custom synthesis services for Hordatine A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.