A'-Neo-30-norgammacerane, 22-butyl-, (17alpha,22R)-
TL;DR: A'-Neo-30-norgammacerane, 22-butyl-, (17alpha,22R)- (CAS 67069-16-3) is a chemical compound with molecular formula C33H58 and molecular weight 454.45 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hexan-2-yl-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene
Also Known As: 33BETABETA 22RS, 22R,17alphaH,21betaH-Trishomohopane, 22S,17alphaH,21betaH-Trishomohopane, 17(H),21(H),22R-trishomohopane, 17(H),21(H),22S-trishomohopane
| Molecular Formula | C33H58 |
|---|---|
| Molecular Weight | 454.45 g/mol |
| LogP | 13.1 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 4 |
| Exact Mass | 454.45386 |
| Heavy Atoms | 33 |
| Complexity | 734.0 |
Chemical Identifiers
| CAS Number | 67069-16-3 |
|---|---|
| SMILES | CCCCC(C)C1CCC2(C1CCC3(C2CCC4C3(CCC5C4(CCCC5(C)C)C)C)C)C |
| InChIKey | KTWXNNDHFXEEFL-UHFFFAOYSA-N |
Product Overview
A'-Neo-30-norgammacerane, 22-butyl-, (17alpha,22R)- (CAS 67069-16-3), with molecular formula C33H58 and molecular weight 454.45 g/mol. IUPAC: 3-hexan-2-yl-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene.
Chemical Property Profile of A'-Neo-30-norgammacerane, 22-butyl-, (17alpha,22R)-
Property Insights of A'-Neo-30-norgammacerane, 22-butyl-, (17alpha,22R)-
The XLogP value of 13.1 indicates that A'-Neo-30-norgammacerane, 22-butyl-, (17alpha,22R)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, A'-Neo-30-norgammacerane, 22-butyl-, (17alpha,22R)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A'-Neo-30-norgammacerane, 22-butyl-, (17alpha,22R)- has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A'-Neo-30-norgammacerane, 22-butyl-, (17alpha,22R)-?
The CAS number of A'-Neo-30-norgammacerane, 22-butyl-, (17alpha,22R)- is 67069-16-3.
What is the molecular formula of A'-Neo-30-norgammacerane, 22-butyl-, (17alpha,22R)-?
The molecular formula of A'-Neo-30-norgammacerane, 22-butyl-, (17alpha,22R)- is C33H58.
What is the molecular weight of A'-Neo-30-norgammacerane, 22-butyl-, (17alpha,22R)-?
The molecular weight of A'-Neo-30-norgammacerane, 22-butyl-, (17alpha,22R)- is 454.45 g/mol.
Where can I buy A'-Neo-30-norgammacerane, 22-butyl-, (17alpha,22R)-?
You can request a quote for A'-Neo-30-norgammacerane, 22-butyl-, (17alpha,22R)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A'-Neo-30-norgammacerane, 22-butyl-, (17alpha,22R)-?
Yes, KEHONG BIO provides custom synthesis services for A'-Neo-30-norgammacerane, 22-butyl-, (17alpha,22R)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.