NSC 60777
TL;DR: NSC 60777 (CAS 40822-17-1) is a chemical compound with molecular formula C19H23NO3 and molecular weight 313.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,13S,14S,16Z)-16-hydroxyimino-3-methoxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one
Also Known As: J1.019.838K, 3-Methoxyestra-1,3,5(10)-triene-16,17-dione 16-oxime, 16-(Hydroxyimino)-3-methoxyestra-1,3,5(10)-triene-17-one, 3-Methoxy-16-(hydroxyimino)estra-1,3,5(10)-triene-17-one, (3aS,3bR,9bS,11aS)-2-(hydroxyimino)-7-methoxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-one
| Molecular Formula | C19H23NO3 |
|---|---|
| Molecular Weight | 313.17 g/mol |
| LogP | 3.5605 |
| Topological Polar Surface Area | 58.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 313.1678 |
| Heavy Atoms | 23 |
| Complexity | 695.85516 |
Chemical Identifiers
| CAS Number | 40822-17-1 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1C/C(=N/O)/C2=O)CCC4=C3C=CC(=C4)OC |
Product Overview
NSC 60777 (CAS 40822-17-1), with molecular formula C19H23NO3 and molecular weight 313.17 g/mol. IUPAC: (8R,9S,13S,14S,16Z)-16-hydroxyimino-3-methoxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one.
Chemical Property Profile of NSC 60777
Property Insights of NSC 60777
The XLogP value of 3.5605 indicates that NSC 60777 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.89 Ų, NSC 60777 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NSC 60777 has 1 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 NSC 60777?
The CAS number of NSC 60777 is 40822-17-1.
What is the molecular formula of NSC 60777?
The molecular formula of NSC 60777 is C19H23NO3.
What is the molecular weight of NSC 60777?
The molecular weight of NSC 60777 is 313.17 g/mol.
Where can I buy NSC 60777?
You can request a quote for NSC 60777 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NSC 60777?
Yes, KEHONG BIO provides custom synthesis services for NSC 60777 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.