Maniladiol
TL;DR: Maniladiol (CAS 595-17-5) is a chemical compound with molecular formula C30H50O2 and molecular weight 442.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,4aR,6aR,6bS,8S,8aS,12aS,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,8-diol
Also Known As: Maniladiol, Olean-12-ene-3,16-diol, KST-1A6503, (9xi)-Olean-12-ene-3beta,16beta-diol, (3
| Molecular Formula | C30H50O2 |
|---|---|
| Molecular Weight | 442.38 g/mol |
| LogP | 7.6 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 442.38107 |
| Heavy Atoms | 32 |
| Complexity | 825.0 |
Chemical Identifiers
| CAS Number | 595-17-5 |
|---|---|
| SMILES | C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3(C2CC=C4[C@]3(C[C@@H]([C@@]5([C@H]4CC(CC5)(C)C)C)O)C)C)(C)C)O |
| InChIKey | VLRYIIPJIVGFIV-XSDXNTANSA-N |
Product Overview
Maniladiol (CAS 595-17-5), with molecular formula C30H50O2 and molecular weight 442.38 g/mol. IUPAC: (3S,4aR,6aR,6bS,8S,8aS,12aS,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,8-diol.
Chemical Property Profile of Maniladiol
Property Insights of Maniladiol
The XLogP value of 7.6 indicates that Maniladiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, Maniladiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Maniladiol has 2 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 Maniladiol?
The CAS number of Maniladiol is 595-17-5.
What is the molecular formula of Maniladiol?
The molecular formula of Maniladiol is C30H50O2.
What is the molecular weight of Maniladiol?
The molecular weight of Maniladiol is 442.38 g/mol.
Where can I buy Maniladiol?
You can request a quote for Maniladiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Maniladiol?
Yes, KEHONG BIO provides custom synthesis services for Maniladiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.