二氯化碘苯
TL;DR: 二氯化碘苯 (CAS 932-72-9) is a chemical compound with molecular formula C22H30O3 and molecular weight 342.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二氯化碘苯
(1'S,2'R,5R,5'S,7'R,8'R,10'R,11'S,15'S)-8'-hydroxy-2',15'-dimethylspiro[furan-5,14'-pentacyclo[8.7.0.02,7.05,7.011,15]heptadecane]-2-one
Also Known As: KST-1A8999, (1as,3ar,3bs,5as,6r,8as,8br,10r,10ar)-10-hydroxy-3a,5a-dimethyl-1a,2,3,3a,3b,4,5,5a,7,8,8a,8b,9,10-tetradecahydro-1h,5'h-spiro[cyclopenta[a]cyclopropa[2,3]cyclopenta[1,2-f]naphthalene-6,2'-furan]-5'-one, (1aS,2'R,3aR,3bS,5aS,8aS,8bR,10R,10aR)-10-Hydroxy-3a,5a-dimethyl-1a,2,3,3a,3b,4,5,5a,7,8,8a,8b,9,10-tetradecahydro-1H,5'H-spiro[cyclopenta[a]cyclopropa[2,3]cyclopenta[1,2-f]naphthalene-6,2'-furan]-5'-one, 10-Hydroxy-3a,5a-dimethyl-1a,2,3,3a,3b,4,5,5a,7,8,8a,8b,9,10-tetradecahydro-1H,5'H-spiro(cyclopenta(a)cyclopropa(2,3)cyclopenta(1,2-f)naphthalene-6,2'-furan)-5'-one, 10-Hydroxy-3a,5a-dimethyl-1a,2,3,3a,3b,4,5,5a,7,8,8a,8b,9,10-tetradecahydro-1H,5'H-spiro[cyclopenta[a]cyclopropa[2,3]cyclopenta[1,2-f]naphthalene-6,2'-furan]-5'-one
| Molecular Formula | C22H30O3 |
|---|---|
| Molecular Weight | 342.22 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 342.21948 |
| Heavy Atoms | 25 |
| Complexity | 699.0 |
Chemical Identifiers
| CAS Number | 932-72-9 |
|---|---|
| SMILES | C[C@]12CC[C@@H]3[C@@]1(C3)[C@@H](C[C@@H]4[C@@H]2CC[C@]5([C@H]4CC[C@@]56C=CC(=O)O6)C)O |
| InChIKey | OUBYDRMNFCCAQT-SMGBYZLYSA-N |
Product Overview
二氯化碘苯 (CAS 932-72-9), with molecular formula C22H30O3 and molecular weight 342.22 g/mol. IUPAC: (1'S,2'R,5R,5'S,7'R,8'R,10'R,11'S,15'S)-8'-hydroxy-2',15'-dimethylspiro[furan-5,14'-pentacyclo[8.7.0.02,7.05,7.011,15]heptadecane]-2-one.
Chemical Property Profile of 二氯化碘苯
Property Insights of 二氯化碘苯
The XLogP value of 4.2 indicates that 二氯化碘苯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 二氯化碘苯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二氯化碘苯 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 二氯化碘苯?
The CAS number of 二氯化碘苯 is 932-72-9.
What is the molecular formula of 二氯化碘苯?
The molecular formula of 二氯化碘苯 is C22H30O3.
What is the molecular weight of 二氯化碘苯?
The molecular weight of 二氯化碘苯 is 342.22 g/mol.
Where can I buy 二氯化碘苯?
You can request a quote for 二氯化碘苯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二氯化碘苯?
Yes, KEHONG BIO provides custom synthesis services for 二氯化碘苯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.