氢化可的松21-半庚二酸酯
TL;DR: 氢化可的松21-半庚二酸酯 (CAS 107085-84-7) is a chemical compound with molecular formula C28H40O8 and molecular weight 504.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氢化可的松21-半庚二酸酯
7-[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-7-oxoheptanoic acid
Also Known As: hydrocortisone 21-hemipimelate, Hydrocortisone hemipimelate, Hydrocortison 21-hemipimelate, J1.555.825C, 21-[(6-Carboxy-1-oxohexyl)oxy]-11beta,17-dihydroxypregna-4-ene-3,20-dione
| Molecular Formula | C28H40O8 |
|---|---|
| Molecular Weight | 504.27 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 504.2723 |
| Heavy Atoms | 36 |
| Complexity | 955.0 |
Chemical Identifiers
| CAS Number | 107085-84-7 |
|---|---|
| SMILES | C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)COC(=O)CCCCCC(=O)O)O)C)O |
| InChIKey | BUEHHRJNLUZXDI-AYVLZSQQSA-N |
Product Overview
氢化可的松21-半庚二酸酯 (CAS 107085-84-7), with molecular formula C28H40O8 and molecular weight 504.27 g/mol. IUPAC: 7-[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-7-oxoheptanoic acid.
Chemical Property Profile of 氢化可的松21-半庚二酸酯
Property Insights of 氢化可的松21-半庚二酸酯
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 氢化可的松21-半庚二酸酯. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 氢化可的松21-半庚二酸酯. Following Lipinski's Rule of Five, 氢化可的松21-半庚二酸酯 has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 氢化可的松21-半庚二酸酯?
The CAS number of 氢化可的松21-半庚二酸酯 is 107085-84-7.
What is the molecular formula of 氢化可的松21-半庚二酸酯?
The molecular formula of 氢化可的松21-半庚二酸酯 is C28H40O8.
What is the molecular weight of 氢化可的松21-半庚二酸酯?
The molecular weight of 氢化可的松21-半庚二酸酯 is 504.27 g/mol.
Where can I buy 氢化可的松21-半庚二酸酯?
You can request a quote for 氢化可的松21-半庚二酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氢化可的松21-半庚二酸酯?
Yes, KEHONG BIO provides custom synthesis services for 氢化可的松21-半庚二酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.