Cresophene
TL;DR: Cresophene (CAS 60311-07-1) is a chemical compound with molecular formula C51H54Cl7FO9 and molecular weight 1074.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chlorophenol;(8S,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one;5-methyl-2-propan-2-ylphenol;3,4,6-trichloro-2-[(2,3,5-trichloro-6-hydroxyphenyl)methyl]phenol
Also Known As: Cresophene, Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17,21-trihydroxy-16-methyl-, (11beta,16alpha)-, mixt. with 4-chlorophenol, 2,2'-methylenebis(3,4,6-trichlorophenol) and 5-methyl-2-(1-methylethyl)phenol, 4-chlorophenol; (8S,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one; 5-methyl-2-propan-2-ylphenol; 3,4,6-trichloro-2-[(2,3,5-trichloro-6-hydroxyphenyl)methyl]phenol, Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17,21-trihydroxy-16-methyl-, (11.beta.,16.alpha.)-, mixt. with 4-chlorophenol, 2,2'-methylenebis[3,4,6-trichlorophenol] and 5-methyl-2-(1-methylethyl)phenol
| Molecular Formula | C51H54Cl7FO9 |
|---|---|
| Molecular Weight | 1074.16 g/mol |
| LogP | 13.37432 |
| Topological Polar Surface Area | 176.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 1074.1571 |
| Heavy Atoms | 68 |
| Complexity | 1320.0 |
Chemical Identifiers
| CAS Number | 60311-07-1 |
|---|---|
| SMILES | C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C.CC1=CC(=C(C=C1)C(C)C)O.C1=CC(=CC=C1O)Cl.C1=C(C(=C(C(=C1Cl)Cl)CC2=C(C(=CC(=C2Cl)Cl)Cl)O)O)Cl |
| InChIKey | LGTPPGAOCUNCRK-IFAKRCIJSA-N |
Product Overview
Cresophene (CAS 60311-07-1), with molecular formula C51H54Cl7FO9 and molecular weight 1074.16 g/mol. IUPAC: 4-chlorophenol;(8S,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one;5-methyl-2-propan-2-ylphenol;3,4,6-trichloro-2-[(2,3,5-trichloro-6-hydroxyphenyl)methyl]phenol.
Chemical Property Profile of Cresophene
Property Insights of Cresophene
The XLogP value of 13.37432 indicates that Cresophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 176.0 Ų indicates high polarity, suggesting Cresophene may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cresophene has 7 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cresophene?
The CAS number of Cresophene is 60311-07-1.
What is the molecular formula of Cresophene?
The molecular formula of Cresophene is C51H54Cl7FO9.
What is the molecular weight of Cresophene?
The molecular weight of Cresophene is 1074.16 g/mol.
Where can I buy Cresophene?
You can request a quote for Cresophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cresophene?
Yes, KEHONG BIO provides custom synthesis services for Cresophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.