NKH477
TL;DR: NKH477 (CAS 138605-00-2) is a chemical compound with molecular formula C28H45ClO8 and molecular weight 544.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
NKH477
[(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] 4-methylpentanoate;hydrochloride
Also Known As: NKH477, Colforsin dapropate hydrochloride, 6-(3-dimethylaminopropionyl) forskolin hydrochloride, (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-(acetyloxy)-3-ethenyl-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-hexahydro-2H-naphtho[2,1-b]pyran-6-yl 4-methylpentanoate hydrochloride, [(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] 4-methylpentanoate hydrochloride
| Molecular Formula | C28H45ClO8 |
|---|---|
| Molecular Weight | 544.28 g/mol |
| LogP | 3.9288 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 544.2803 |
| Heavy Atoms | 37 |
| Complexity | 927.0 |
Chemical Identifiers
| CAS Number | 138605-00-2 |
|---|---|
| SMILES | CC(C)CCC(=O)O[C@H]1[C@@H]2[C@]([C@H](CCC2(C)C)O)([C@]3(C(=O)C[C@](O[C@@]3([C@H]1OC(=O)C)C)(C)C=C)O)C.Cl |
| InChIKey | LNEICJSEZPSKSJ-RPBMHHKSSA-N |
Product Overview
NKH477 (CAS 138605-00-2), with molecular formula C28H45ClO8 and molecular weight 544.28 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] 4-methylpentanoate;hydrochloride.
Chemical Property Profile of NKH477
Property Insights of NKH477
The XLogP value of 3.9288 indicates that NKH477 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for NKH477. Following Lipinski's Rule of Five, NKH477 has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of NKH477?
The CAS number of NKH477 is 138605-00-2.
What is the molecular formula of NKH477?
The molecular formula of NKH477 is C28H45ClO8.
What is the molecular weight of NKH477?
The molecular weight of NKH477 is 544.28 g/mol.
Where can I buy NKH477?
You can request a quote for NKH477 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NKH477?
Yes, KEHONG BIO provides custom synthesis services for NKH477 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.