2-Chloroestradiol
TL;DR: 2-Chloroestradiol (CAS 88847-87-4) is a chemical compound with molecular formula C18H23ClO2 and molecular weight 306.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,13S,14S,17S)-2-chloro-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
Also Known As: 2-Chloroestradiol, 2-Chloroestra-1(10),2,4-triene-3,17-diol, (17S)-2-Chloroestra-1(10),2,4-triene-3,17-diol, (8R,9S,13S,14S,17S)-2-chloro-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol, Estra-1,3,5(10)-triene-3,17-diol, 2-chloro-, (17beta)-
| Molecular Formula | C18H23ClO2 |
|---|---|
| Molecular Weight | 306.14 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 306.13867 |
| Heavy Atoms | 21 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 88847-87-4 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=C(C=C34)Cl)O |
| InChIKey | GCBCRGZIRHMTNJ-XSSYPUMDSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloroestradiol (CAS 88847-87-4), with molecular formula C18H23ClO2 and molecular weight 306.14 g/mol. IUPAC: (8R,9S,13S,14S,17S)-2-chloro-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol.
Chemical Property Profile of 2-Chloroestradiol
Property Insights of 2-Chloroestradiol
The XLogP value of 4.6 indicates that 2-Chloroestradiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 2-Chloroestradiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloroestradiol has 2 hydrogen bond donor(s) and 2 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 2-Chloroestradiol?
The CAS number of 2-Chloroestradiol is 88847-87-4.
What is the molecular formula of 2-Chloroestradiol?
The molecular formula of 2-Chloroestradiol is C18H23ClO2.
What is the molecular weight of 2-Chloroestradiol?
The molecular weight of 2-Chloroestradiol is 306.14 g/mol.
Where can I buy 2-Chloroestradiol?
You can request a quote for 2-Chloroestradiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloroestradiol?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloroestradiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.