7beta-Nbd-nct
TL;DR: 7beta-Nbd-nct (CAS 124882-57-1) is a chemical compound with molecular formula C32H47N5O9S and molecular weight 677.30945 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[(4R)-4-[(3R,5R,7S,10S,12S,13R,17R)-3,12-dihydroxy-10,13-dimethyl-7-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid
Also Known As: 7beta-Nbd-nct, Nitrobenzoxadiazol-N-cholytaurine, (N-(7-(Nitrobenz-2-oxa-1,3-diazol-4-yl))-7-amino-3alpha,12alpha-dihydroxycholan-24-oyl)-2-aminoethanesulfonate, 2-(((3alpha,5beta,7beta,12alpha)-3,12-dihydroxy-7-((7-nitro-4-benzofurazanyl)amino)-24-oxocholan-24-yl)amino)ethanesulfonic acid, (8xi,9xi,14xi)-3alpha,12alpha-Dihydroxy-7beta-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]-N-(2-sulfoethyl)-5beta-cholan-24-imidic acid
Technical Specifications
| Molecular Formula | C32H47N5O9S |
| Molecular Weight | 677.30945 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 229.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 9 |
| Exact Mass | 677.30945 Da |
| Heavy Atoms | 47 |
| Complexity | 1280.0 |
| SMILES | C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CCC2[C@@]1([C@H](CC3C2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)NC5=CC=C(C6=NON=C56)[N+](=O)[O-])O)C |
| InChIKey | OPHJSJAUIOZCAY-BXUBCPGOSA-N |
Chemical Property Profile of 7beta-Nbd-nct
Property Insights of 7beta-Nbd-nct
The XLogP value of 3.7 indicates that 7beta-Nbd-nct is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 229.0 Ų indicates high polarity, suggesting 7beta-Nbd-nct may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 7beta-Nbd-nct has 5 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 7beta-Nbd-nct?
The CAS number of 7beta-Nbd-nct is 124882-57-1.
What is the molecular formula of 7beta-Nbd-nct?
The molecular formula of 7beta-Nbd-nct is C32H47N5O9S.
What is the molecular weight of 7beta-Nbd-nct?
The molecular weight of 7beta-Nbd-nct is 677.30945 g/mol.
Where can I buy 7beta-Nbd-nct?
You can request a quote for 7beta-Nbd-nct directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 7beta-Nbd-nct?
Yes, CoreyChem provides custom synthesis services for 7beta-Nbd-nct and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.