Dihydroniloticin
TL;DR: Dihydroniloticin (CAS 115334-05-9) is a chemical compound with molecular formula C30H50O3 and molecular weight 458.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
17-[4-(3,3-dimethyloxiran-2-yl)-4-hydroxybutan-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
Also Known As: Dihydroniloticin, Compound NP-021292, (3S,5R,9R,10R,13S,14S,17S)-17-[(2S,4R)-4-[(2S)-3,3-dimethyloxiran-2-yl]-4-hydroxybutan-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol, 17-[4-(3,3-dimethyloxiran-2-yl)-4-hydroxybutan-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
| Molecular Formula | C30H50O3 |
|---|---|
| Molecular Weight | 458.38 g/mol |
| LogP | 6.517 |
| Topological Polar Surface Area | 52.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 458.376 |
| Heavy Atoms | 33 |
| Complexity | 828.3984 |
Chemical Identifiers
| CAS Number | 115334-05-9 |
|---|---|
| SMILES | CC(CC(C1C(O1)(C)C)O)C2CCC3(C2(CCC4C3=CCC5C4(CCC(C5(C)C)O)C)C)C |
Product Overview
Dihydroniloticin (CAS 115334-05-9), with molecular formula C30H50O3 and molecular weight 458.38 g/mol. IUPAC: 17-[4-(3,3-dimethyloxiran-2-yl)-4-hydroxybutan-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol.
Chemical Property Profile of Dihydroniloticin
Property Insights of Dihydroniloticin
The XLogP value of 6.517 indicates that Dihydroniloticin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.99 Ų, Dihydroniloticin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dihydroniloticin has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dihydroniloticin?
The CAS number of Dihydroniloticin is 115334-05-9.
What is the molecular formula of Dihydroniloticin?
The molecular formula of Dihydroniloticin is C30H50O3.
What is the molecular weight of Dihydroniloticin?
The molecular weight of Dihydroniloticin is 458.38 g/mol.
Where can I buy Dihydroniloticin?
You can request a quote for Dihydroniloticin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dihydroniloticin?
Yes, KEHONG BIO provides custom synthesis services for Dihydroniloticin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.