6 Alpha,16 alpha-dihydroxyestrone 6-hemisuccinate
TL;DR: 6 Alpha,16 alpha-dihydroxyestrone 6-hemisuccinate (CAS 84371-31-3) is a chemical compound with molecular formula C22H26O7 and molecular weight 402.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[(6S,8R,9S,13S,14S,16R)-3,16-dihydroxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-6-yl]oxy]-4-oxobutanoic acid
Also Known As: 6,16-Dhehs, 6 Alpha,16 Alpha-dihydroxyestrone 6-hemisuccinate, 6alpha,16alpha-Dihydroxyestrone 6-hemisuccinate, Estra-1,3,5(10)-trien-17-one, 6-(3-carboxy-1-oxopropoxy)-3,16-dihydroxy-, (6alpha,16alpha)-, 4-[[(6S,8R,9S,13S,14S,16R)-3,16-dihydroxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-6-yl]oxy]-4-oxobutanoic acid
| Molecular Formula | C22H26O7 |
|---|---|
| Molecular Weight | 402.17 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.16785 |
| Heavy Atoms | 29 |
| Complexity | 691.0 |
Chemical Identifiers
| CAS Number | 84371-31-3 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H](C2=O)O)C[C@@H](C4=C3C=CC(=C4)O)OC(=O)CCC(=O)O |
| InChIKey | DQOUUNHNWYQXAB-ZVDJSPIDSA-N |
Product Overview
6 Alpha,16 alpha-dihydroxyestrone 6-hemisuccinate (CAS 84371-31-3), with molecular formula C22H26O7 and molecular weight 402.17 g/mol. IUPAC: 4-[[(6S,8R,9S,13S,14S,16R)-3,16-dihydroxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-6-yl]oxy]-4-oxobutanoic acid.
Chemical Property Profile of 6 Alpha,16 alpha-dihydroxyestrone 6-hemisuccinate
Property Insights of 6 Alpha,16 alpha-dihydroxyestrone 6-hemisuccinate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6 Alpha,16 alpha-dihydroxyestrone 6-hemisuccinate. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6 Alpha,16 alpha-dihydroxyestrone 6-hemisuccinate. Following Lipinski's Rule of Five, 6 Alpha,16 alpha-dihydroxyestrone 6-hemisuccinate has 3 hydrogen bond donor(s) and 7 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 6 Alpha,16 alpha-dihydroxyestrone 6-hemisuccinate?
The CAS number of 6 Alpha,16 alpha-dihydroxyestrone 6-hemisuccinate is 84371-31-3.
What is the molecular formula of 6 Alpha,16 alpha-dihydroxyestrone 6-hemisuccinate?
The molecular formula of 6 Alpha,16 alpha-dihydroxyestrone 6-hemisuccinate is C22H26O7.
What is the molecular weight of 6 Alpha,16 alpha-dihydroxyestrone 6-hemisuccinate?
The molecular weight of 6 Alpha,16 alpha-dihydroxyestrone 6-hemisuccinate is 402.17 g/mol.
Where can I buy 6 Alpha,16 alpha-dihydroxyestrone 6-hemisuccinate?
You can request a quote for 6 Alpha,16 alpha-dihydroxyestrone 6-hemisuccinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6 Alpha,16 alpha-dihydroxyestrone 6-hemisuccinate?
Yes, KEHONG BIO provides custom synthesis services for 6 Alpha,16 alpha-dihydroxyestrone 6-hemisuccinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.