7,8-Dihydroxycalonectrin
TL;DR: 7,8-Dihydroxycalonectrin (CAS 95673-99-7) is a chemical compound with molecular formula C19H26O8 and molecular weight 382.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(10-acetyloxy-3,4-dihydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl)methyl acetate
Also Known As: 7,8-Dihydroxycalonectrin, 7,8-Dihydroxy calonectrin, 7a,8a-Dihydroxycalonectrin, 7alpha,8alpha-Dihydroxycalonectrin, (10-acetyloxy-3,4-dihydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl)methyl acetate
| Molecular Formula | C19H26O8 |
|---|---|
| Molecular Weight | 382.16 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 382.16278 |
| Heavy Atoms | 27 |
| Complexity | 718.0 |
Chemical Identifiers
| CAS Number | 95673-99-7 |
|---|---|
| SMILES | CC1=CC2C(C(C1O)O)(C3(CC(C(C34CO4)O2)OC(=O)C)C)COC(=O)C |
| InChIKey | JSKXQQKSUOVSKS-UHFFFAOYSA-N |
Product Overview
7,8-Dihydroxycalonectrin (CAS 95673-99-7), with molecular formula C19H26O8 and molecular weight 382.16 g/mol. IUPAC: (10-acetyloxy-3,4-dihydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl)methyl acetate.
Chemical Property Profile of 7,8-Dihydroxycalonectrin
Property Insights of 7,8-Dihydroxycalonectrin
The XLogP value of -0.9 indicates that 7,8-Dihydroxycalonectrin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7,8-Dihydroxycalonectrin. Following Lipinski's Rule of Five, 7,8-Dihydroxycalonectrin has 2 hydrogen bond donor(s) and 8 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 7,8-Dihydroxycalonectrin?
The CAS number of 7,8-Dihydroxycalonectrin is 95673-99-7.
What is the molecular formula of 7,8-Dihydroxycalonectrin?
The molecular formula of 7,8-Dihydroxycalonectrin is C19H26O8.
What is the molecular weight of 7,8-Dihydroxycalonectrin?
The molecular weight of 7,8-Dihydroxycalonectrin is 382.16 g/mol.
Where can I buy 7,8-Dihydroxycalonectrin?
You can request a quote for 7,8-Dihydroxycalonectrin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7,8-Dihydroxycalonectrin?
Yes, KEHONG BIO provides custom synthesis services for 7,8-Dihydroxycalonectrin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.