十一酸雌二醇
TL;DR: 十一酸雌二醇 (CAS 3571-53-7) is a chemical compound with molecular formula C29H44O3 and molecular weight 440.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
十一酸雌二醇
[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] undecanoate
Also Known As: ESTRADIOL UNDECYLATE, Delestrec, Depogin, Primogyn Depot, estradiolundecylate
| Molecular Formula | C29H44O3 |
|---|---|
| Molecular Weight | 440.33 g/mol |
| LogP | 9.2 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 440.32904 |
| Heavy Atoms | 32 |
| Complexity | 603.0 |
Chemical Identifiers
| CAS Number | 3571-53-7 |
|---|---|
| SMILES | CCCCCCCCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C3C=CC(=C4)O)C |
| InChIKey | TXHUMRBWIWWBGW-GVGNIZHQSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
十一酸雌二醇 (CAS 3571-53-7), with molecular formula C29H44O3 and molecular weight 440.33 g/mol. IUPAC: [(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] undecanoate.
Chemical Property Profile of 十一酸雌二醇
Property Insights of 十一酸雌二醇
The XLogP value of 9.2 indicates that 十一酸雌二醇 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 十一酸雌二醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 十一酸雌二醇 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 十一酸雌二醇?
The CAS number of 十一酸雌二醇 is 3571-53-7.
What is the molecular formula of 十一酸雌二醇?
The molecular formula of 十一酸雌二醇 is C29H44O3.
What is the molecular weight of 十一酸雌二醇?
The molecular weight of 十一酸雌二醇 is 440.33 g/mol.
Where can I buy 十一酸雌二醇?
You can request a quote for 十一酸雌二醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 十一酸雌二醇?
Yes, KEHONG BIO provides custom synthesis services for 十一酸雌二醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.