Bryodulcosigenin
TL;DR: Bryodulcosigenin (CAS 4965-97-3) is a chemical compound with molecular formula C30H50O4 and molecular weight 474.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,8S,9R,10R,13R,14S,17R)-17-[(2R,5R)-5,6-dihydroxy-6-methylheptan-2-yl]-3-hydroxy-4,4,9,13,14-pentamethyl-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one
Also Known As: Bryodulcosigenin, 11-Oxomogrol, 11-Oxo-Mogrol, 11-O-mogrol, NCI60_038830
| Molecular Formula | C30H50O4 |
|---|---|
| Molecular Weight | 474.37 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 474.3709 |
| Heavy Atoms | 34 |
| Complexity | 858.0 |
Chemical Identifiers
| CAS Number | 4965-97-3 |
|---|---|
| SMILES | C[C@H](CC[C@H](C(C)(C)O)O)[C@H]1CC[C@@]2([C@@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3CC[C@@H](C4(C)C)O)C)C)C |
| InChIKey | FPMQKXQOBKDVHF-DJHQPCGUSA-N |
Product Overview
Bryodulcosigenin (CAS 4965-97-3), with molecular formula C30H50O4 and molecular weight 474.37 g/mol. IUPAC: (3S,8S,9R,10R,13R,14S,17R)-17-[(2R,5R)-5,6-dihydroxy-6-methylheptan-2-yl]-3-hydroxy-4,4,9,13,14-pentamethyl-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one.
Chemical Property Profile of Bryodulcosigenin
Property Insights of Bryodulcosigenin
The XLogP value of 5.1 indicates that Bryodulcosigenin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Bryodulcosigenin. Following Lipinski's Rule of Five, Bryodulcosigenin has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bryodulcosigenin?
The CAS number of Bryodulcosigenin is 4965-97-3.
What is the molecular formula of Bryodulcosigenin?
The molecular formula of Bryodulcosigenin is C30H50O4.
What is the molecular weight of Bryodulcosigenin?
The molecular weight of Bryodulcosigenin is 474.37 g/mol.
Where can I buy Bryodulcosigenin?
You can request a quote for Bryodulcosigenin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bryodulcosigenin?
Yes, KEHONG BIO provides custom synthesis services for Bryodulcosigenin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.