Lokysterolamine B
TL;DR: Lokysterolamine B (CAS 159934-15-3) is a chemical compound with molecular formula C31H48N2O2 and molecular weight 480.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Lokysterolamine B
N-[(3S,4R,5S,9R,10R,13R,14R,17R)-4-hydroxy-10,13-dimethyl-17-[(2R)-1-(4-propan-2-ylidene-2,3-dihydropyrrol-5-yl)propan-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]acetamide
Also Known As: Lokysterolamine B, N-Acetyl-4beta-hydroxy-epi-plakinamine A, N-[(3S,4R,5S,9R,10R,13R,14R,17R)-4-hydroxy-10,13-dimethyl-17-[(2R)-1-(4-propan-2-ylidene-2,3-dihydropyrrol-5-yl)propan-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]acetamide, N-[(3S,4R,5R,9R,10R,13R,14R,17R)-4-hydroxy-10,13-dimethyl-17-[(2R)-1-(4-propan-2-ylidene-2,3-dihydropyrrol-5-yl)propan-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]acetamide, Acetamide, N-((3beta,4beta,5alpha,20R)-21-(3,4-dihydro-4-(1-methylethylidene)-2H-pyrrol-5-yl)-4-hydroxy-20-methylpregn-7-en-3-yl)-
| Molecular Formula | C31H48N2O2 |
|---|---|
| Molecular Weight | 480.37 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 61.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 480.37158 |
| Heavy Atoms | 35 |
| Complexity | 959.0 |
Chemical Identifiers
| CAS Number | 159934-15-3 |
|---|---|
| SMILES | C[C@H](CC1=NCCC1=C(C)C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4C3=CC[C@H]5[C@@]4(CC[C@@H]([C@@H]5O)NC(=O)C)C)C |
| InChIKey | QUNQBOZYERAKAG-HYWVEBSISA-N |
Product Overview
Lokysterolamine B (CAS 159934-15-3), with molecular formula C31H48N2O2 and molecular weight 480.37 g/mol. IUPAC: N-[(3S,4R,5S,9R,10R,13R,14R,17R)-4-hydroxy-10,13-dimethyl-17-[(2R)-1-(4-propan-2-ylidene-2,3-dihydropyrrol-5-yl)propan-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]acetamide.
Chemical Property Profile of Lokysterolamine B
Property Insights of Lokysterolamine B
The XLogP value of 5.5 indicates that Lokysterolamine B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Lokysterolamine B. Following Lipinski's Rule of Five, Lokysterolamine B 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 Lokysterolamine B?
The CAS number of Lokysterolamine B is 159934-15-3.
What is the molecular formula of Lokysterolamine B?
The molecular formula of Lokysterolamine B is C31H48N2O2.
What is the molecular weight of Lokysterolamine B?
The molecular weight of Lokysterolamine B is 480.37 g/mol.
Where can I buy Lokysterolamine B?
You can request a quote for Lokysterolamine B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Lokysterolamine B?
Yes, KEHONG BIO provides custom synthesis services for Lokysterolamine B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.