Numersterol B
TL;DR: Numersterol B (CAS 124596-65-2) is a chemical compound with molecular formula C29H50O3 and molecular weight 446.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,3S,5R,8S,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-7-methyl-6-methylideneoctan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-1,3,5-triol
Also Known As: Numersterol B, 27-Norcholest-25-ene-1,3,5-triol, 25-(1-methylethyl)-, (1beta,3beta,5alpha)-, (1R,3S,5R,8S,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-7-methyl-6-methylideneoctan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-1,3,5-triol, (1R,3S,5R,8S,9S,10S,13R,14S,17R)-10,13-dimethyl-17-((2R)-7-methyl-6-methylideneoctan-2-yl)-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta(a)phenanthrene-1,3,5-triol, RefChem:166960
| Molecular Formula | C29H50O3 |
|---|---|
| Molecular Weight | 446.38 g/mol |
| LogP | 7.6 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 446.376 |
| Heavy Atoms | 32 |
| Complexity | 703.0 |
Chemical Identifiers
| CAS Number | 124596-65-2 |
|---|---|
| SMILES | C[C@H](CCCC(=C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@]4([C@@]3([C@@H](C[C@@H](C4)O)O)C)O)C |
| InChIKey | LATZJDGEDRBGDY-RQHYHMENSA-N |
Product Overview
Numersterol B (CAS 124596-65-2), with molecular formula C29H50O3 and molecular weight 446.38 g/mol. IUPAC: (1R,3S,5R,8S,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-7-methyl-6-methylideneoctan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-1,3,5-triol.
Chemical Property Profile of Numersterol B
Property Insights of Numersterol B
The XLogP value of 7.6 indicates that Numersterol B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Numersterol B. Following Lipinski's Rule of Five, Numersterol B has 3 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 Numersterol B?
The CAS number of Numersterol B is 124596-65-2.
What is the molecular formula of Numersterol B?
The molecular formula of Numersterol B is C29H50O3.
What is the molecular weight of Numersterol B?
The molecular weight of Numersterol B is 446.38 g/mol.
Where can I buy Numersterol B?
You can request a quote for Numersterol B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Numersterol B?
Yes, KEHONG BIO provides custom synthesis services for Numersterol B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.