NEINH
TL;DR: NEINH (CAS 86762-75-6) is a chemical compound with molecular formula C26H31N3O2 and molecular weight 417.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[(8R,9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]pyridine-4-carboxamide
Also Known As: NEINH, Norethindrone isonicotinyl hydrazone, 4-Pyridinecarboxylic acid, ((17alpha)-17-hydroxy-19-norpregn-4-en-20-yn-3-ylidene)hydrazide
| Molecular Formula | C26H31N3O2 |
|---|---|
| Molecular Weight | 417.24 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 417.24164 |
| Heavy Atoms | 31 |
| Complexity | 848.0 |
Chemical Identifiers
| CAS Number | 86762-75-6 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(=NNC(=O)C5=CC=NC=C5)CC[C@H]34 |
| InChIKey | BPABSCIRMRCINT-UKNJCJGYSA-N |
Product Overview
NEINH (CAS 86762-75-6), with molecular formula C26H31N3O2 and molecular weight 417.24 g/mol. IUPAC: N-[[(8R,9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]pyridine-4-carboxamide.
Chemical Property Profile of NEINH
Property Insights of NEINH
The XLogP value of 3.3 indicates that NEINH is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for NEINH. Following Lipinski's Rule of Five, NEINH has 2 hydrogen bond donor(s) and 4 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 NEINH?
The CAS number of NEINH is 86762-75-6.
What is the molecular formula of NEINH?
The molecular formula of NEINH is C26H31N3O2.
What is the molecular weight of NEINH?
The molecular weight of NEINH is 417.24 g/mol.
Where can I buy NEINH?
You can request a quote for NEINH directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NEINH?
Yes, KEHONG BIO provides custom synthesis services for NEINH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.