BB-K29
TL;DR: BB-K29 (CAS 98820-08-7) is a chemical compound with molecular formula C22H47N5O21S2 and molecular weight 781.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-4-amino-N-[(1S,2R,3R,4S,5R)-5-amino-4-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide;sulfuric acid
Also Known As: BB-K29, BB-K 29, (2S)-4-amino-N-[(1S,2R,3R,4S,5R)-5-amino-4-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide; sulfuric acid, (2S)-4-amino-N-[(1S,2R,3R,4S,5R)-5-amino-4-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide;sulfuric acid, (2S)-4-Amino-N-{(1S,2R,3R,4S,5R)-5-amino-4-[(3-amino-3-deoxy-alpha-D-glucopyranosyl)oxy]-2-[(6-amino-6-deoxy-alpha-D-glucopyranosyl)oxy]-3-hydroxycyclohexyl}-2-hydroxybutanimidic acid--sulfuric acid (1/2)
| Molecular Formula | C22H47N5O21S2 |
|---|---|
| Molecular Weight | 781.22 g/mol |
| LogP | -9.7298 |
| Topological Polar Surface Area | 498.0 Ų |
| Hydrogen Bond Donors | 17 |
| Hydrogen Bond Acceptors | 25 |
| Rotatable Bonds | 10 |
| Exact Mass | 781.2205 |
| Heavy Atoms | 50 |
| Complexity | 900.0 |
Chemical Identifiers
| CAS Number | 98820-08-7 |
|---|---|
| SMILES | C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1NC(=O)[C@H](CCN)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)N.OS(=O)(=O)O.OS(=O)(=O)O |
| InChIKey | SWOHHBNJQHDNFM-WYSMZKEGSA-N |
Product Overview
BB-K29 (CAS 98820-08-7), with molecular formula C22H47N5O21S2 and molecular weight 781.22 g/mol. IUPAC: (2S)-4-amino-N-[(1S,2R,3R,4S,5R)-5-amino-4-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide;sulfuric acid.
Chemical Property Profile of BB-K29
Property Insights of BB-K29
The XLogP value of -9.7298 indicates that BB-K29 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 498.0 Ų indicates high polarity, suggesting BB-K29 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BB-K29 has 17 hydrogen bond donor(s) and 25 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BB-K29?
The CAS number of BB-K29 is 98820-08-7.
What is the molecular formula of BB-K29?
The molecular formula of BB-K29 is C22H47N5O21S2.
What is the molecular weight of BB-K29?
The molecular weight of BB-K29 is 781.22 g/mol.
Where can I buy BB-K29?
You can request a quote for BB-K29 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BB-K29?
Yes, KEHONG BIO provides custom synthesis services for BB-K29 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.