法骨化醇
TL;DR: 法骨化醇 (CAS 83805-11-2) is a chemical compound with molecular formula C27H38F6O3 and molecular weight 524.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
法骨化醇
5-[2-[7a-methyl-1-[7,7,7-trifluoro-6-hydroxy-6-(trifluoromethyl)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
Also Known As: falecalcitriol, Naltrexone Hcl, 17-?(cyclopropylmethyl)-?4,?5?-?epoxy-?3,?14-?dihydroxy-?morphinan-?6-?one,? monohydrochloride, 5-[2-[7a-methyl-1-[7,7,7-trifluoro-6-hydroxy-6-(trifluoromethyl)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
| Molecular Formula | C27H38F6O3 |
|---|---|
| Molecular Weight | 524.27 g/mol |
| LogP | 6.6 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 524.2725 |
| Heavy Atoms | 36 |
| Complexity | 860.0 |
Chemical Identifiers
| CAS Number | 83805-11-2 |
|---|---|
| SMILES | CC(CCCC(C(F)(F)F)(C(F)(F)F)O)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C |
| InChIKey | XPYGGHVSFMUHLH-UHFFFAOYSA-N |
Product Overview
法骨化醇 (CAS 83805-11-2), with molecular formula C27H38F6O3 and molecular weight 524.27 g/mol. IUPAC: 5-[2-[7a-methyl-1-[7,7,7-trifluoro-6-hydroxy-6-(trifluoromethyl)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol.
Chemical Property Profile of 法骨化醇
Property Insights of 法骨化醇
The XLogP value of 6.6 indicates that 法骨化醇 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 法骨化醇. Following Lipinski's Rule of Five, 法骨化醇 has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 法骨化醇?
The CAS number of 法骨化醇 is 83805-11-2.
What is the molecular formula of 法骨化醇?
The molecular formula of 法骨化醇 is C27H38F6O3.
What is the molecular weight of 法骨化醇?
The molecular weight of 法骨化醇 is 524.27 g/mol.
Where can I buy 法骨化醇?
You can request a quote for 法骨化醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 法骨化醇?
Yes, KEHONG BIO provides custom synthesis services for 法骨化醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.