NUM6HP2TDN
TL;DR: NUM6HP2TDN (CAS 60864-76-8) is a chemical compound with molecular formula C24H28BrFO5 and molecular weight 494.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(6R,8S,10R,13S,14S,16S,17R)-2-bromo-6-fluoro-17-hydroxy-10,13,16-trimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
Also Known As: EINECS 262-503-3, 2-Bromo-6beta-fluoro-17,21-dihydroxy-16beta-methylpregna-1,4,9(11)-triene-3,20-dione 21-acetate, [2-[(6R,8S,10R,13S,14S,16S,17R)-2-bromo-6-fluoro-17-hydroxy-10,13,16-trimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate, 2-[(1R,2S,3aS,3bS,5R,9aR,11aS)-8-bromo-5-fluoro-1-hydroxy-2,9a,11a-trimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-oxoethyl acetate, 2-bromo-6beta-fluoro-17,21-dihydroxy-16beta-methylpregna-1,4,9 -triene-3,20-dione21-acetate
| Molecular Formula | C24H28BrFO5 |
|---|---|
| Molecular Weight | 494.11 g/mol |
| LogP | 3.9943 |
| Topological Polar Surface Area | 80.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 494.1104 |
| Heavy Atoms | 31 |
| Complexity | 967.0165 |
Chemical Identifiers
| CAS Number | 60864-76-8 |
|---|---|
| SMILES | C[C@H]1C[C@H]2[C@@H]3C[C@H](C4=CC(=O)C(=C[C@@]4(C3=CC[C@@]2([C@]1(C(=O)COC(=O)C)O)C)C)Br)F |
Product Overview
NUM6HP2TDN (CAS 60864-76-8), with molecular formula C24H28BrFO5 and molecular weight 494.11 g/mol. IUPAC: [2-[(6R,8S,10R,13S,14S,16S,17R)-2-bromo-6-fluoro-17-hydroxy-10,13,16-trimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate.
Chemical Property Profile of NUM6HP2TDN
Property Insights of NUM6HP2TDN
The XLogP value of 3.9943 indicates that NUM6HP2TDN is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.67 Ų falls within the moderate polarity range, balancing permeability and solubility for NUM6HP2TDN. Following Lipinski's Rule of Five, NUM6HP2TDN has 1 hydrogen bond donor(s) and 5 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 NUM6HP2TDN?
The CAS number of NUM6HP2TDN is 60864-76-8.
What is the molecular formula of NUM6HP2TDN?
The molecular formula of NUM6HP2TDN is C24H28BrFO5.
What is the molecular weight of NUM6HP2TDN?
The molecular weight of NUM6HP2TDN is 494.11 g/mol.
Where can I buy NUM6HP2TDN?
You can request a quote for NUM6HP2TDN directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NUM6HP2TDN?
Yes, KEHONG BIO provides custom synthesis services for NUM6HP2TDN and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.