17-Oxoestra-1(10),2,4-trien-3-yl hexopyranosiduronate
TL;DR: 17-Oxoestra-1(10),2,4-trien-3-yl hexopyranosiduronate (CAS 15042-89-4) is a chemical compound with molecular formula C24H29O8- and molecular weight 445.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,5-trihydroxy-6-[(13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl)oxy]oxane-2-carboxylate
Also Known As: 17-Oxoestra-1(10),2,4-trien-3-yl hexopyranosiduronate, beta-D-Glucopyranosiduronic acid, 17-oxoestra-1,3,5(10)-trien-3-yl, ion(1-), I(2)-D-Glucopyranosiduronic acid, 17-oxoestra-1,3,5(10)-trien-3-yl, ion(1-), 3,4,5-trihydroxy-6-[(13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl)oxy]oxane-2-carboxylate
| Molecular Formula | C24H29O8- |
|---|---|
| Molecular Weight | 445.19 g/mol |
| LogP | 0.0481 |
| Topological Polar Surface Area | 136.35 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 445.18625 |
| Heavy Atoms | 32 |
| Complexity | 930.57434 |
Chemical Identifiers
| CAS Number | 15042-89-4 |
|---|---|
| SMILES | CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OC5C(C(C(C(O5)C(=O)[O-])O)O)O |
Product Overview
17-Oxoestra-1(10),2,4-trien-3-yl hexopyranosiduronate (CAS 15042-89-4), with molecular formula C24H29O8- and molecular weight 445.19 g/mol. IUPAC: 3,4,5-trihydroxy-6-[(13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl)oxy]oxane-2-carboxylate.
Chemical Property Profile of 17-Oxoestra-1(10),2,4-trien-3-yl hexopyranosiduronate
Property Insights of 17-Oxoestra-1(10),2,4-trien-3-yl hexopyranosiduronate
The XLogP value of 0.0481 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 17-Oxoestra-1(10),2,4-trien-3-yl hexopyranosiduronate. The TPSA of 136.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 17-Oxoestra-1(10),2,4-trien-3-yl hexopyranosiduronate. Following Lipinski's Rule of Five, 17-Oxoestra-1(10),2,4-trien-3-yl hexopyranosiduronate has 3 hydrogen bond donor(s) and 8 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 17-Oxoestra-1(10),2,4-trien-3-yl hexopyranosiduronate?
The CAS number of 17-Oxoestra-1(10),2,4-trien-3-yl hexopyranosiduronate is 15042-89-4.
What is the molecular formula of 17-Oxoestra-1(10),2,4-trien-3-yl hexopyranosiduronate?
The molecular formula of 17-Oxoestra-1(10),2,4-trien-3-yl hexopyranosiduronate is C24H29O8-.
What is the molecular weight of 17-Oxoestra-1(10),2,4-trien-3-yl hexopyranosiduronate?
The molecular weight of 17-Oxoestra-1(10),2,4-trien-3-yl hexopyranosiduronate is 445.19 g/mol.
Where can I buy 17-Oxoestra-1(10),2,4-trien-3-yl hexopyranosiduronate?
You can request a quote for 17-Oxoestra-1(10),2,4-trien-3-yl hexopyranosiduronate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17-Oxoestra-1(10),2,4-trien-3-yl hexopyranosiduronate?
Yes, KEHONG BIO provides custom synthesis services for 17-Oxoestra-1(10),2,4-trien-3-yl hexopyranosiduronate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.