Win 44577
TL;DR: Win 44577 (CAS 98640-98-3) is a chemical compound with molecular formula C28H31FN2O2 and molecular weight 446.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2R,13S,14S,17R,18S,20S)-17-ethynyl-7-(4-fluorophenyl)-2,18-dimethyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-triene-17,20-diol
Also Known As: Win 44577, 2'-(4-Fluorophenyl)2'H-pregna-2,4-dien-20-yno(3,2c)pyrazol-11,17-diol, (1S,2R,13S,14S,17R,18S,20S)-17-Ethynyl-7-(4-fluorophenyl)-2,18-dimethyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-triene-17,20-diol, 2'H-Pregna-2,4-dien-20-yno(3,2-c)pyrazole-11,17-diol, 2'-(4-fluorophenyl)-, (11beta,17alpha)-, (1R,3aS,3bS,10aR,10bS,11S,12aS)-1-ethynyl-7-(4-fluorophenyl)-10a,12a-dimethyl-1,2,3,3a,3b,4,5,7,10,10a,10b,11,12,12a-tetradecahydrocyclopenta[5,6]naphtho[1,2-f]indazole-1,11-diol
| Molecular Formula | C28H31FN2O2 |
|---|---|
| Molecular Weight | 446.24 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 58.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 446.23697 |
| Heavy Atoms | 33 |
| Complexity | 890.0 |
Chemical Identifiers
| CAS Number | 98640-98-3 |
|---|---|
| SMILES | C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC5=C(C[C@]34C)C=NN5C6=CC=C(C=C6)F)O |
| InChIKey | CPIBWHAJWLRDNO-JNIWZSOOSA-N |
Product Overview
Win 44577 (CAS 98640-98-3), with molecular formula C28H31FN2O2 and molecular weight 446.24 g/mol. IUPAC: (1S,2R,13S,14S,17R,18S,20S)-17-ethynyl-7-(4-fluorophenyl)-2,18-dimethyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-triene-17,20-diol.
Chemical Property Profile of Win 44577
Property Insights of Win 44577
The XLogP value of 4.3 indicates that Win 44577 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.3 Ų, Win 44577 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Win 44577 has 2 hydrogen bond donor(s) and 4 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 Win 44577?
The CAS number of Win 44577 is 98640-98-3.
What is the molecular formula of Win 44577?
The molecular formula of Win 44577 is C28H31FN2O2.
What is the molecular weight of Win 44577?
The molecular weight of Win 44577 is 446.24 g/mol.
Where can I buy Win 44577?
You can request a quote for Win 44577 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Win 44577?
Yes, KEHONG BIO provides custom synthesis services for Win 44577 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.