Bodipy Cyclopamine
TL;DR: Bodipy Cyclopamine (CAS 334658-24-1) is a chemical compound with molecular formula C49H70BF2N5O4 and molecular weight 841.55 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3-hydroxy-3',6',10,11b-tetramethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-4'-yl]ethyl]-6-[3-(2,2-difluoro-10,12-dimethyl-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-4-yl)propanoylamino]hexanamide
Also Known As: Bodipy Cyclopamine, nchembio753-comp5, Bodipy Cyclopamine (>85%), 6-(3-(4,4-Difluoro-1,3-dimethyl-4-bora-3a,4a-diaza-s-indacen-5yl)propanamido)-N-(2-(cyclopaminyl)ethyl)hexanamide
| Molecular Formula | C49H70BF2N5O4 |
|---|---|
| Molecular Weight | 841.55 g/mol |
| LogP | 8.00634 |
| Topological Polar Surface Area | 98.84 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 841.5489 |
| Heavy Atoms | 61 |
| Complexity | 2105.1035 |
Chemical Identifiers
| CAS Number | 334658-24-1 |
|---|---|
| SMILES | [B-]1(N2C(=CC(=C2C=C3[N+]1=C(C=C3)CCC(=O)NCCCCCC(=O)NCCN4C[C@H](C[C@@H]5[C@@H]4[C@H]([C@]6(O5)CC[C@H]7[C@@H]8CC=C9C[C@H](CC[C@@]9([C@H]8CC7=C6C)C)O)C)C)C)C)(F)F |
Product Overview
Bodipy Cyclopamine (CAS 334658-24-1), with molecular formula C49H70BF2N5O4 and molecular weight 841.55 g/mol. IUPAC: N-[2-[(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3-hydroxy-3',6',10,11b-tetramethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-4'-yl]ethyl]-6-[3-(2,2-difluoro-10,12-dimethyl-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-4-yl)propanoylamino]hexanamide.
Chemical Property Profile of Bodipy Cyclopamine
Property Insights of Bodipy Cyclopamine
The XLogP value of 8.00634 indicates that Bodipy Cyclopamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.84 Ų falls within the moderate polarity range, balancing permeability and solubility for Bodipy Cyclopamine. Following Lipinski's Rule of Five, Bodipy Cyclopamine has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bodipy Cyclopamine?
The CAS number of Bodipy Cyclopamine is 334658-24-1.
What is the molecular formula of Bodipy Cyclopamine?
The molecular formula of Bodipy Cyclopamine is C49H70BF2N5O4.
What is the molecular weight of Bodipy Cyclopamine?
The molecular weight of Bodipy Cyclopamine is 841.55 g/mol.
Where can I buy Bodipy Cyclopamine?
You can request a quote for Bodipy Cyclopamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bodipy Cyclopamine?
Yes, KEHONG BIO provides custom synthesis services for Bodipy Cyclopamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.