Nae-3,7-dhca
TL;DR: Nae-3,7-dhca (CAS 83256-99-9) is a chemical compound with molecular formula C26H46N2O3 and molecular weight 434.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R)-N-(2-aminoethyl)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17S)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide
Also Known As: Nae-3,7-dhca, KST-1A8449, (3, A,5, A,7
| Molecular Formula | C26H46N2O3 |
|---|---|
| Molecular Weight | 434.35 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 95.6 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 434.35083 |
| Heavy Atoms | 31 |
| Complexity | 657.0 |
Chemical Identifiers
| CAS Number | 83256-99-9 |
|---|---|
| SMILES | C[C@H](CCC(=O)NCCN)[C@@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C |
| InChIKey | PJQVFKBWSMRJQG-CEKROEOGSA-N |
Product Overview
Nae-3,7-dhca (CAS 83256-99-9), with molecular formula C26H46N2O3 and molecular weight 434.35 g/mol. IUPAC: (4R)-N-(2-aminoethyl)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17S)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide.
Chemical Property Profile of Nae-3,7-dhca
Property Insights of Nae-3,7-dhca
The XLogP value of 3.7 indicates that Nae-3,7-dhca is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Nae-3,7-dhca. Following Lipinski's Rule of Five, Nae-3,7-dhca has 4 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 Nae-3,7-dhca?
The CAS number of Nae-3,7-dhca is 83256-99-9.
What is the molecular formula of Nae-3,7-dhca?
The molecular formula of Nae-3,7-dhca is C26H46N2O3.
What is the molecular weight of Nae-3,7-dhca?
The molecular weight of Nae-3,7-dhca is 434.35 g/mol.
Where can I buy Nae-3,7-dhca?
You can request a quote for Nae-3,7-dhca directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nae-3,7-dhca?
Yes, KEHONG BIO provides custom synthesis services for Nae-3,7-dhca and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.