![N,N-Bis[3-(D-gluconamido)propyl]deoxycholamide structure](/static/products/863/86303-23-3.png)
N,N-Bis[3-(D-gluconamido)propyl]deoxycholamide
TL;DR: N,N-Bis[3-(D-gluconamido)propyl]deoxycholamide (CAS 86303-23-3) is a chemical compound with molecular formula C42H75N3O15 and molecular weight 861.52 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3S,4R,5R)-N-[3-[[(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]-[3-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]propyl]amino]propyl]-2,3,4,5,6-pentahydroxyhexanamide
Also Known As: DEOXY-BIGCHAP, Deoxy-bigchap [MI], 1imx, N,N-Bis(3-(D-gluconamido)propyl)deoxycholamide, HY-W250173
| Molecular Formula | C42H75N3O15 |
|---|---|
| Molecular Weight | 861.52 g/mol |
| LogP | -2.1 |
| Topological Polar Surface Area | 321.0 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 22 |
| Exact Mass | 861.51984 |
| Heavy Atoms | 60 |
| Complexity | 1350.0 |
Chemical Identifiers
| CAS Number | 86303-23-3 |
|---|---|
| SMILES | C[C@H](CCC(=O)N(CCCNC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)CCCNC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C |
| InChIKey | OJSUWTDDXLCUFR-HGZMBBKESA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N,N-Bis[3-(D-gluconamido)propyl]deoxycholamide (CAS 86303-23-3), with molecular formula C42H75N3O15 and molecular weight 861.52 g/mol. IUPAC: (2R,3S,4R,5R)-N-[3-[[(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]-[3-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]propyl]amino]propyl]-2,3,4,5,6-pentahydroxyhexanamide.
Chemical Property Profile of N,N-Bis[3-(D-gluconamido)propyl]deoxycholamide
Property Insights of N,N-Bis[3-(D-gluconamido)propyl]deoxycholamide
The XLogP value of -2.1 indicates that N,N-Bis[3-(D-gluconamido)propyl]deoxycholamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 321.0 Ų indicates high polarity, suggesting N,N-Bis[3-(D-gluconamido)propyl]deoxycholamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N,N-Bis[3-(D-gluconamido)propyl]deoxycholamide has 14 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N,N-Bis[3-(D-gluconamido)propyl]deoxycholamide?
The CAS number of N,N-Bis[3-(D-gluconamido)propyl]deoxycholamide is 86303-23-3.
What is the molecular formula of N,N-Bis[3-(D-gluconamido)propyl]deoxycholamide?
The molecular formula of N,N-Bis[3-(D-gluconamido)propyl]deoxycholamide is C42H75N3O15.
What is the molecular weight of N,N-Bis[3-(D-gluconamido)propyl]deoxycholamide?
The molecular weight of N,N-Bis[3-(D-gluconamido)propyl]deoxycholamide is 861.52 g/mol.
Where can I buy N,N-Bis[3-(D-gluconamido)propyl]deoxycholamide?
You can request a quote for N,N-Bis[3-(D-gluconamido)propyl]deoxycholamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-Bis[3-(D-gluconamido)propyl]deoxycholamide?
Yes, KEHONG BIO provides custom synthesis services for N,N-Bis[3-(D-gluconamido)propyl]deoxycholamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.