16,18-DH-Doca
TL;DR: 16,18-DH-Doca (CAS 42280-41-1) is a chemical compound with molecular formula C21H30O5 and molecular weight 362.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,10R,13R,14S,16R,17R)-16-hydroxy-17-(2-hydroxyacetyl)-13-(hydroxymethyl)-10-methyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Also Known As: 16,18-DH-Doca, 16,18-Dihydroxydesoxycorticosterone, 16alpha,18-Dihydroxydeoxycorticosterone, 16 Alpha,18-dihydroxydeoxycorticosterone, 16,18,21-trihydroxypregn-4-ene-3,20-dione
| Molecular Formula | C21H30O5 |
|---|---|
| Molecular Weight | 362.21 g/mol |
| LogP | 1.6391 |
| Topological Polar Surface Area | 94.83 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 362.20932 |
| Heavy Atoms | 26 |
| Complexity | 654.78687 |
Chemical Identifiers
| CAS Number | 42280-41-1 |
|---|---|
| SMILES | C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C[C@H]([C@@H]4C(=O)CO)O)CO |
Product Overview
16,18-DH-Doca (CAS 42280-41-1), with molecular formula C21H30O5 and molecular weight 362.21 g/mol. IUPAC: (8R,9S,10R,13R,14S,16R,17R)-16-hydroxy-17-(2-hydroxyacetyl)-13-(hydroxymethyl)-10-methyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one.
Chemical Property Profile of 16,18-DH-Doca
Property Insights of 16,18-DH-Doca
The XLogP value of 1.6391 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 16,18-DH-Doca. The TPSA of 94.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 16,18-DH-Doca. Following Lipinski's Rule of Five, 16,18-DH-Doca has 3 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 16,18-DH-Doca?
The CAS number of 16,18-DH-Doca is 42280-41-1.
What is the molecular formula of 16,18-DH-Doca?
The molecular formula of 16,18-DH-Doca is C21H30O5.
What is the molecular weight of 16,18-DH-Doca?
The molecular weight of 16,18-DH-Doca is 362.21 g/mol.
Where can I buy 16,18-DH-Doca?
You can request a quote for 16,18-DH-Doca directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 16,18-DH-Doca?
Yes, KEHONG BIO provides custom synthesis services for 16,18-DH-Doca and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.