3,17Beta-dihydroxy-1,3,5(10)estratrien-16beta-ylacetic acid lactone
TL;DR: 3,17Beta-dihydroxy-1,3,5(10)estratrien-16beta-ylacetic acid lactone (CAS 5255-51-6) is a chemical compound with molecular formula C20H24O3 and molecular weight 312.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
16-hydroxy-9-methyl-7-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-13(18),14,16-trien-6-one
Also Known As: 3,17Beta-dihydroxy-1,3,5(10)estratrien-16beta-ylacetic acid lactone, 2-Hydroxy-6a-methyl-4b,5,6,6a,6b,9,9a,10,10a,10b,11,12-dodecahydro-8H-naphtho[2',1':4,5]indeno[1,2-b]furan-8-one
| Molecular Formula | C20H24O3 |
|---|---|
| Molecular Weight | 312.17 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 312.17255 |
| Heavy Atoms | 23 |
| Complexity | 517.0 |
Chemical Identifiers
| CAS Number | 5255-51-6 |
|---|---|
| SMILES | CC12CCC3C(C1CC4C2OC(=O)C4)CCC5=C3C=CC(=C5)O |
| InChIKey | FKUBBKBYUHOFTK-UHFFFAOYSA-N |
Product Overview
3,17Beta-dihydroxy-1,3,5(10)estratrien-16beta-ylacetic acid lactone (CAS 5255-51-6), with molecular formula C20H24O3 and molecular weight 312.17 g/mol. IUPAC: 16-hydroxy-9-methyl-7-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-13(18),14,16-trien-6-one.
Chemical Property Profile of 3,17Beta-dihydroxy-1,3,5(10)estratrien-16beta-ylacetic acid lactone
Property Insights of 3,17Beta-dihydroxy-1,3,5(10)estratrien-16beta-ylacetic acid lactone
The XLogP value of 4.1 indicates that 3,17Beta-dihydroxy-1,3,5(10)estratrien-16beta-ylacetic acid lactone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 3,17Beta-dihydroxy-1,3,5(10)estratrien-16beta-ylacetic acid lactone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,17Beta-dihydroxy-1,3,5(10)estratrien-16beta-ylacetic acid lactone has 1 hydrogen bond donor(s) and 3 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 3,17Beta-dihydroxy-1,3,5(10)estratrien-16beta-ylacetic acid lactone?
The CAS number of 3,17Beta-dihydroxy-1,3,5(10)estratrien-16beta-ylacetic acid lactone is 5255-51-6.
What is the molecular formula of 3,17Beta-dihydroxy-1,3,5(10)estratrien-16beta-ylacetic acid lactone?
The molecular formula of 3,17Beta-dihydroxy-1,3,5(10)estratrien-16beta-ylacetic acid lactone is C20H24O3.
What is the molecular weight of 3,17Beta-dihydroxy-1,3,5(10)estratrien-16beta-ylacetic acid lactone?
The molecular weight of 3,17Beta-dihydroxy-1,3,5(10)estratrien-16beta-ylacetic acid lactone is 312.17 g/mol.
Where can I buy 3,17Beta-dihydroxy-1,3,5(10)estratrien-16beta-ylacetic acid lactone?
You can request a quote for 3,17Beta-dihydroxy-1,3,5(10)estratrien-16beta-ylacetic acid lactone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,17Beta-dihydroxy-1,3,5(10)estratrien-16beta-ylacetic acid lactone?
Yes, KEHONG BIO provides custom synthesis services for 3,17Beta-dihydroxy-1,3,5(10)estratrien-16beta-ylacetic acid lactone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.