葫芦素I
TL;DR: 葫芦素I (CAS 2222-07-3) is a chemical compound with molecular formula C30H42O7 and molecular weight 514.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
葫芦素I
17-(2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthrene-3,11-dione
Also Known As: Cucurbitacin I, NCI60_000266, NCI60_004269, 17-(1,5-dihydroxy-1,5-dimethyl-2-oxo-3-hexenyl)-2,16-dihydroxy-4,4,9,14-tetramethylestra-1,5-diene-3,11-dione, 17-(2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthrene-3,11-dione
| Molecular Formula | C30H42O7 |
|---|---|
| Molecular Weight | 514.29 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 514.293 |
| Heavy Atoms | 37 |
| Complexity | 1160.0 |
Chemical Identifiers
| CAS Number | 2222-07-3 |
|---|---|
| SMILES | CC1(C2=CCC3C4(CC(C(C4(CC(=O)C3(C2C=C(C1=O)O)C)C)C(C)(C(=O)C=CC(C)(C)O)O)O)C)C |
| InChIKey | NISPVUDLMHQFRQ-UHFFFAOYSA-N |
Product Overview
葫芦素I (CAS 2222-07-3), with molecular formula C30H42O7 and molecular weight 514.29 g/mol. IUPAC: 17-(2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthrene-3,11-dione.
Chemical Property Profile of 葫芦素I
Property Insights of 葫芦素I
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 葫芦素I. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 葫芦素I. Following Lipinski's Rule of Five, 葫芦素I has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 葫芦素I?
The CAS number of 葫芦素I is 2222-07-3.
What is the molecular formula of 葫芦素I?
The molecular formula of 葫芦素I is C30H42O7.
What is the molecular weight of 葫芦素I?
The molecular weight of 葫芦素I is 514.29 g/mol.
Where can I buy 葫芦素I?
You can request a quote for 葫芦素I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 葫芦素I?
Yes, KEHONG BIO provides custom synthesis services for 葫芦素I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.