3,4,15,16-Tetrahydro-3,4-dihydroxy-11-methyl-17H-cyclopenta(a)phenanthren-17-one
TL;DR: 3,4,15,16-Tetrahydro-3,4-dihydroxy-11-methyl-17H-cyclopenta(a)phenanthren-17-one (CAS 74816-22-1) is a chemical compound with molecular formula C18H16O3 and molecular weight 280.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,4S)-3,4-dihydroxy-11-methyl-3,4,15,16-tetrahydrocyclopenta[a]phenanthren-17-one
Also Known As: Tdmcpo, KST-1A8045, (3S,4S)-3,4-dihydroxy-11-methyl-3,4,15,16-tetrahydrocyclopenta[a]phenanthren-17-one, (3, A,4
| Molecular Formula | C18H16O3 |
|---|---|
| Molecular Weight | 280.11 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 280.10995 |
| Heavy Atoms | 21 |
| Complexity | 471.0 |
Chemical Identifiers
| CAS Number | 74816-22-1 |
|---|---|
| SMILES | CC1=CC2=C(CCC2=O)C3=C1C4=C(C=C3)[C@@H]([C@H](C=C4)O)O |
| InChIKey | RAXAPVOXQLFSFL-WMZOPIPTSA-N |
Product Overview
3,4,15,16-Tetrahydro-3,4-dihydroxy-11-methyl-17H-cyclopenta(a)phenanthren-17-one (CAS 74816-22-1), with molecular formula C18H16O3 and molecular weight 280.11 g/mol. IUPAC: (3S,4S)-3,4-dihydroxy-11-methyl-3,4,15,16-tetrahydrocyclopenta[a]phenanthren-17-one.
Chemical Property Profile of 3,4,15,16-Tetrahydro-3,4-dihydroxy-11-methyl-17H-cyclopenta(a)phenanthren-17-one
Property Insights of 3,4,15,16-Tetrahydro-3,4-dihydroxy-11-methyl-17H-cyclopenta(a)phenanthren-17-one
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4,15,16-Tetrahydro-3,4-dihydroxy-11-methyl-17H-cyclopenta(a)phenanthren-17-one. With a topological polar surface area (TPSA) of 57.5 Ų, 3,4,15,16-Tetrahydro-3,4-dihydroxy-11-methyl-17H-cyclopenta(a)phenanthren-17-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4,15,16-Tetrahydro-3,4-dihydroxy-11-methyl-17H-cyclopenta(a)phenanthren-17-one has 2 hydrogen bond donor(s) and 3 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 3,4,15,16-Tetrahydro-3,4-dihydroxy-11-methyl-17H-cyclopenta(a)phenanthren-17-one?
The CAS number of 3,4,15,16-Tetrahydro-3,4-dihydroxy-11-methyl-17H-cyclopenta(a)phenanthren-17-one is 74816-22-1.
What is the molecular formula of 3,4,15,16-Tetrahydro-3,4-dihydroxy-11-methyl-17H-cyclopenta(a)phenanthren-17-one?
The molecular formula of 3,4,15,16-Tetrahydro-3,4-dihydroxy-11-methyl-17H-cyclopenta(a)phenanthren-17-one is C18H16O3.
What is the molecular weight of 3,4,15,16-Tetrahydro-3,4-dihydroxy-11-methyl-17H-cyclopenta(a)phenanthren-17-one?
The molecular weight of 3,4,15,16-Tetrahydro-3,4-dihydroxy-11-methyl-17H-cyclopenta(a)phenanthren-17-one is 280.11 g/mol.
Where can I buy 3,4,15,16-Tetrahydro-3,4-dihydroxy-11-methyl-17H-cyclopenta(a)phenanthren-17-one?
You can request a quote for 3,4,15,16-Tetrahydro-3,4-dihydroxy-11-methyl-17H-cyclopenta(a)phenanthren-17-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4,15,16-Tetrahydro-3,4-dihydroxy-11-methyl-17H-cyclopenta(a)phenanthren-17-one?
Yes, KEHONG BIO provides custom synthesis services for 3,4,15,16-Tetrahydro-3,4-dihydroxy-11-methyl-17H-cyclopenta(a)phenanthren-17-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.