3,10-Dithia-dodecandisaeure
TL;DR: 3,10-Dithia-dodecandisaeure (CAS 4269-76-5) is a chemical compound with molecular formula C23H30O6 and molecular weight 402.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(5R,8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-4,5,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
Also Known As: 3,10-Dithia-dodecandisaeure, 3,10-dithia-dodecanedioic acid, KST-1A5671, (5, A)-17-hydroxy-3,11,20-trioxopregn-1-en-21-yl acetate
| Molecular Formula | C23H30O6 |
|---|---|
| Molecular Weight | 402.20 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 97.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 402.20422 |
| Heavy Atoms | 29 |
| Complexity | 814.0 |
Chemical Identifiers
| CAS Number | 4269-76-5 |
|---|---|
| SMILES | CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CC[C@H]4[C@@]3(C=CC(=O)C4)C)C)O |
| InChIKey | KSUOHHAFKLCGAB-LPEMZKRWSA-N |
Product Overview
3,10-Dithia-dodecandisaeure (CAS 4269-76-5), with molecular formula C23H30O6 and molecular weight 402.20 g/mol. IUPAC: [2-[(5R,8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-4,5,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate.
Chemical Property Profile of 3,10-Dithia-dodecandisaeure
Property Insights of 3,10-Dithia-dodecandisaeure
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,10-Dithia-dodecandisaeure. The TPSA of 97.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,10-Dithia-dodecandisaeure. Following Lipinski's Rule of Five, 3,10-Dithia-dodecandisaeure has 1 hydrogen bond donor(s) and 6 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 3,10-Dithia-dodecandisaeure?
The CAS number of 3,10-Dithia-dodecandisaeure is 4269-76-5.
What is the molecular formula of 3,10-Dithia-dodecandisaeure?
The molecular formula of 3,10-Dithia-dodecandisaeure is C23H30O6.
What is the molecular weight of 3,10-Dithia-dodecandisaeure?
The molecular weight of 3,10-Dithia-dodecandisaeure is 402.20 g/mol.
Where can I buy 3,10-Dithia-dodecandisaeure?
You can request a quote for 3,10-Dithia-dodecandisaeure directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,10-Dithia-dodecandisaeure?
Yes, KEHONG BIO provides custom synthesis services for 3,10-Dithia-dodecandisaeure and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.