Irhediamine
TL;DR: Irhediamine (CAS 12645-44-2) is a chemical compound with molecular formula C21H36N2 and molecular weight 316.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
17-(1-aminoethyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine
Also Known As: Irehdiamine, Irehdiamine A, IRHEDIAMINE, Irhediamine hydrochloride, Pregn-5-ene-3, monohydrochloride, (3.beta.,20S)-
| Molecular Formula | C21H36N2 |
|---|---|
| Molecular Weight | 316.29 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 316.28784 |
| Heavy Atoms | 23 |
| Complexity | 512.0 |
Chemical Identifiers
| CAS Number | 12645-44-2 |
|---|---|
| SMILES | CC(C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)N)C)C)N |
| InChIKey | XDELLWIDOQOKHV-UHFFFAOYSA-N |
Product Overview
Irhediamine (CAS 12645-44-2), with molecular formula C21H36N2 and molecular weight 316.29 g/mol. IUPAC: 17-(1-aminoethyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine.
Chemical Property Profile of Irhediamine
Property Insights of Irhediamine
The XLogP value of 4.0 indicates that Irhediamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.0 Ų, Irhediamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Irhediamine has 2 hydrogen bond donor(s) and 2 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 Irhediamine?
The CAS number of Irhediamine is 12645-44-2.
What is the molecular formula of Irhediamine?
The molecular formula of Irhediamine is C21H36N2.
What is the molecular weight of Irhediamine?
The molecular weight of Irhediamine is 316.29 g/mol.
Where can I buy Irhediamine?
You can request a quote for Irhediamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Irhediamine?
Yes, KEHONG BIO provides custom synthesis services for Irhediamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.