Nbd-chol
TL;DR: Nbd-chol (CAS 851808-05-4) is a chemical compound with molecular formula C40H61N5O7 and molecular weight 723.46 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] N-[2-[2-[2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]ethoxy]ethoxy]ethyl]carbamate
Also Known As: Nbd-chol, KST-1A8565, N(1)-Cholesterylcarbamoyl-N(8)-(4-nitrobenzo-2-oxa-1,3-diazole)-3,6-dioxaoctyl-1,8-diamine, [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] N-[2-[2-[2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]ethoxy]ethoxy]ethyl]carbamate, (3
| Molecular Formula | C40H61N5O7 |
|---|---|
| Molecular Weight | 723.46 g/mol |
| LogP | 9.4 |
| Topological Polar Surface Area | 154.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 17 |
| Exact Mass | 723.4571 |
| Heavy Atoms | 52 |
| Complexity | 1230.0 |
Chemical Identifiers
| CAS Number | 851808-05-4 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)NCCOCCOCCNC5=CC=C(C6=NON=C56)[N+](=O)[O-])C)C |
| InChIKey | PYDIBDVAHXFICD-TYSIZKDBSA-N |
Product Overview
Nbd-chol (CAS 851808-05-4), with molecular formula C40H61N5O7 and molecular weight 723.46 g/mol. IUPAC: [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] N-[2-[2-[2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]ethoxy]ethoxy]ethyl]carbamate.
Chemical Property Profile of Nbd-chol
Property Insights of Nbd-chol
The XLogP value of 9.4 indicates that Nbd-chol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 154.0 Ų indicates high polarity, suggesting Nbd-chol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Nbd-chol has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Nbd-chol?
The CAS number of Nbd-chol is 851808-05-4.
What is the molecular formula of Nbd-chol?
The molecular formula of Nbd-chol is C40H61N5O7.
What is the molecular weight of Nbd-chol?
The molecular weight of Nbd-chol is 723.46 g/mol.
Where can I buy Nbd-chol?
You can request a quote for Nbd-chol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nbd-chol?
Yes, KEHONG BIO provides custom synthesis services for Nbd-chol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.