A'-Neo-21alphaH-gammacer-22(29)-en-3beta-ol, acetate
TL;DR: A'-Neo-21alphaH-gammacer-22(29)-en-3beta-ol, acetate (CAS 2085-25-8) is a chemical compound with molecular formula C32H52O2 and molecular weight 468.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5a,5b,8,8,11a,13b-hexamethyl-3-prop-1-en-2-yl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-9-yl) acetate
Also Known As: A'-Neo-21.alpha.H-gammacer-22(29)-en-3.beta.-ol, acetate, A'-Neogammacer-22(29)-en-3-ol, acetate, (3.beta.,21.beta.)-, (5a,5b,8,8,11a,13b-hexamethyl-3-prop-1-en-2-yl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-9-yl) acetate, 3-Isopropenyl-5a,5b,8,8,11a,13b-hexamethylicosahydro-1H-cyclopenta[a]chrysen-9-yl acetate #
| Molecular Formula | C32H52O2 |
|---|---|
| Molecular Weight | 468.40 g/mol |
| LogP | 10.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 468.39673 |
| Heavy Atoms | 34 |
| Complexity | 872.0 |
Chemical Identifiers
| CAS Number | 2085-25-8 |
|---|---|
| SMILES | CC(=C)C1CCC2(C1CCC3(C2CCC4C3(CCC5C4(CCC(C5(C)C)OC(=O)C)C)C)C)C |
| InChIKey | JRAYHROVVIBKAS-UHFFFAOYSA-N |
Product Overview
A'-Neo-21alphaH-gammacer-22(29)-en-3beta-ol, acetate (CAS 2085-25-8), with molecular formula C32H52O2 and molecular weight 468.40 g/mol. IUPAC: (5a,5b,8,8,11a,13b-hexamethyl-3-prop-1-en-2-yl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-9-yl) acetate.
Chemical Property Profile of A'-Neo-21alphaH-gammacer-22(29)-en-3beta-ol, acetate
Property Insights of A'-Neo-21alphaH-gammacer-22(29)-en-3beta-ol, acetate
The XLogP value of 10.4 indicates that A'-Neo-21alphaH-gammacer-22(29)-en-3beta-ol, acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, A'-Neo-21alphaH-gammacer-22(29)-en-3beta-ol, acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A'-Neo-21alphaH-gammacer-22(29)-en-3beta-ol, acetate has 0 hydrogen bond donor(s) and 2 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-21alphaH-gammacer-22(29)-en-3beta-ol, acetate?
The CAS number of A'-Neo-21alphaH-gammacer-22(29)-en-3beta-ol, acetate is 2085-25-8.
What is the molecular formula of A'-Neo-21alphaH-gammacer-22(29)-en-3beta-ol, acetate?
The molecular formula of A'-Neo-21alphaH-gammacer-22(29)-en-3beta-ol, acetate is C32H52O2.
What is the molecular weight of A'-Neo-21alphaH-gammacer-22(29)-en-3beta-ol, acetate?
The molecular weight of A'-Neo-21alphaH-gammacer-22(29)-en-3beta-ol, acetate is 468.40 g/mol.
Where can I buy A'-Neo-21alphaH-gammacer-22(29)-en-3beta-ol, acetate?
You can request a quote for A'-Neo-21alphaH-gammacer-22(29)-en-3beta-ol, acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A'-Neo-21alphaH-gammacer-22(29)-en-3beta-ol, acetate?
Yes, KEHONG BIO provides custom synthesis services for A'-Neo-21alphaH-gammacer-22(29)-en-3beta-ol, acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.