3-Dansylestrone
TL;DR: 3-Dansylestrone (CAS 35629-57-3) is a chemical compound with molecular formula C30H33NO4S and molecular weight 503.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] 5-(dimethylamino)naphthalene-1-sulfonate
Also Known As: 3-Dansylestrone, Estrone-3-dansyl, Estra-1,3,5(10)-trien-17-one, 3-(((5-(dimethylamino)-1-naphthalenyl)sulfonyl)oxy)-, [(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] 5-(dimethylamino)naphthalene-1-sulfonate, 17-Oxoestra-1(10),2,4-trien-3-yl 5-(dimethylamino)naphthalene-1-sulfonate
| Molecular Formula | C30H33NO4S |
|---|---|
| Molecular Weight | 503.21 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 503.21304 |
| Heavy Atoms | 36 |
| Complexity | 943.0 |
Chemical Identifiers
| CAS Number | 35629-57-3 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)OS(=O)(=O)C5=CC=CC6=C5C=CC=C6N(C)C |
| InChIKey | FUQSZFCTVMQWSY-KCUJWJGTSA-N |
Product Overview
3-Dansylestrone (CAS 35629-57-3), with molecular formula C30H33NO4S and molecular weight 503.21 g/mol. IUPAC: [(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] 5-(dimethylamino)naphthalene-1-sulfonate.
Chemical Property Profile of 3-Dansylestrone
Property Insights of 3-Dansylestrone
The XLogP value of 6.0 indicates that 3-Dansylestrone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Dansylestrone. Following Lipinski's Rule of Five, 3-Dansylestrone has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Dansylestrone?
The CAS number of 3-Dansylestrone is 35629-57-3.
What is the molecular formula of 3-Dansylestrone?
The molecular formula of 3-Dansylestrone is C30H33NO4S.
What is the molecular weight of 3-Dansylestrone?
The molecular weight of 3-Dansylestrone is 503.21 g/mol.
Where can I buy 3-Dansylestrone?
You can request a quote for 3-Dansylestrone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Dansylestrone?
Yes, KEHONG BIO provides custom synthesis services for 3-Dansylestrone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.