Adehl
TL;DR: Adehl (CAS 178925-65-0) is a chemical compound with molecular formula C27H44ClNO8 and molecular weight 545.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-acetyloxy-3-ethenyl-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-6-yl] 3-(dimethylamino)propanoate;hydrochloride
Also Known As: Adehl, Nkh 477, Colforsin, NKH477, Colforsin daropate hydrochloride
| Molecular Formula | C27H44ClNO8 |
|---|---|
| Molecular Weight | 545.28 g/mol |
| LogP | 2.4443 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 545.2756 |
| Heavy Atoms | 37 |
| Complexity | 933.0 |
Chemical Identifiers
| CAS Number | 178925-65-0 |
|---|---|
| SMILES | CC(=O)O[C@H]1[C@H]([C@@H]2[C@]([C@H](CCC2(C)C)O)([C@@]3([C@@]1(O[C@@](CC3=O)(C)C=C)C)O)C)OC(=O)CCN(C)C.Cl |
| InChIKey | VIRRLEDAYYYTOD-YHEOSNBFSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Adehl (CAS 178925-65-0), with molecular formula C27H44ClNO8 and molecular weight 545.28 g/mol. IUPAC: [(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-acetyloxy-3-ethenyl-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-6-yl] 3-(dimethylamino)propanoate;hydrochloride.
Chemical Property Profile of Adehl
Property Insights of Adehl
The XLogP value of 2.4443 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Adehl. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Adehl. Following Lipinski's Rule of Five, Adehl has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Adehl?
The CAS number of Adehl is 178925-65-0.
What is the molecular formula of Adehl?
The molecular formula of Adehl is C27H44ClNO8.
What is the molecular weight of Adehl?
The molecular weight of Adehl is 545.28 g/mol.
Where can I buy Adehl?
You can request a quote for Adehl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Adehl?
Yes, KEHONG BIO provides custom synthesis services for Adehl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.