Missourin
TL;DR: Missourin (CAS 102818-56-4) is a chemical compound with molecular formula C30H48O3 and molecular weight 456.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3aS,5aR,5bR,7S,7aS,11aR,11bR,13aR,13bS)-7-hydroxy-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]chrysen-3-yl]prop-2-enoic acid
Also Known As: Missourin, 6-Hydroxyhop-22(30)-en-29-oic acid, (21xi)-6alpha-Hydroxyhop-22(30)-en-29-oic acid, 2-[(3aS,5aR,5bR,7S,7aS,11aR,11bR,13aR,13bS)-7-hydroxy-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]chrysen-3-yl]prop-2-enoic acid
| Molecular Formula | C30H48O3 |
|---|---|
| Molecular Weight | 456.36 g/mol |
| LogP | 8.8 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 456.36035 |
| Heavy Atoms | 33 |
| Complexity | 861.0 |
Chemical Identifiers
| CAS Number | 102818-56-4 |
|---|---|
| SMILES | C[C@]12CCC([C@@H]1CC[C@@]3([C@@H]2CC[C@H]4[C@]3(C[C@@H]([C@@H]5[C@@]4(CCCC5(C)C)C)O)C)C)C(=C)C(=O)O |
| InChIKey | MQKWYZOQVYYVSK-LOSASGFXSA-N |
Product Overview
Missourin (CAS 102818-56-4), with molecular formula C30H48O3 and molecular weight 456.36 g/mol. IUPAC: 2-[(3aS,5aR,5bR,7S,7aS,11aR,11bR,13aR,13bS)-7-hydroxy-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]chrysen-3-yl]prop-2-enoic acid.
Chemical Property Profile of Missourin
Property Insights of Missourin
The XLogP value of 8.8 indicates that Missourin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, Missourin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Missourin 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 Missourin?
The CAS number of Missourin is 102818-56-4.
What is the molecular formula of Missourin?
The molecular formula of Missourin is C30H48O3.
What is the molecular weight of Missourin?
The molecular weight of Missourin is 456.36 g/mol.
Where can I buy Missourin?
You can request a quote for Missourin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Missourin?
Yes, KEHONG BIO provides custom synthesis services for Missourin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.