CID 11680
TL;DR: CID 11680 (CAS 595-21-1) is a chemical compound with molecular formula C30H46O9 and molecular weight 550.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3S,5R,10S,13R,14S,17R)-3-[(2R,5S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-14,16-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Also Known As: Strospeside, Strospesid [German], Gitoxigenin 3-O-monodigitaloside, Gitoxogenin-D-digitalosid [German], Desgluco-digitalinum verum [German]
| Molecular Formula | C30H46O9 |
|---|---|
| Molecular Weight | 550.31 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 550.3142 |
| Heavy Atoms | 39 |
| Complexity | 1000.0 |
Chemical Identifiers
| CAS Number | 595-21-1 |
|---|---|
| SMILES | CC1[C@@H](C(C([C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CCC4C3CC[C@]5([C@@]4(CC([C@@H]5C6=CC(=O)OC6)O)O)C)C)O)OC)O |
| InChIKey | CPFNIKYEDJFRAT-RHZHZRSRSA-N |
Product Overview
CID 11680 (CAS 595-21-1), with molecular formula C30H46O9 and molecular weight 550.31 g/mol. IUPAC: 3-[(3S,5R,10S,13R,14S,17R)-3-[(2R,5S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-14,16-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one.
Chemical Property Profile of CID 11680
Property Insights of CID 11680
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CID 11680. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for CID 11680. Following Lipinski's Rule of Five, CID 11680 has 4 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 CID 11680?
The CAS number of CID 11680 is 595-21-1.
What is the molecular formula of CID 11680?
The molecular formula of CID 11680 is C30H46O9.
What is the molecular weight of CID 11680?
The molecular weight of CID 11680 is 550.31 g/mol.
Where can I buy CID 11680?
You can request a quote for CID 11680 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CID 11680?
Yes, KEHONG BIO provides custom synthesis services for CID 11680 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.