BQ 518
TL;DR: BQ 518 (CAS 136554-29-5) is a chemical compound with molecular formula C32H38N6O7S and molecular weight 650.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3R,6R,9S,12S,15S)-6-(1H-indol-3-ylmethyl)-9-(2-methylpropyl)-2,5,8,11,14-pentaoxo-12-thiophen-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-3-yl]acetic acid
Also Known As: BQ 518, BQ518, J2.775.231D, Cyclo[D-alphaAsp-L-Pro-[(2S)-2-(2-thienyl)-Gly-]-L-Leu-D-Trp-], 2-[(3R,6R,9S,12S,15S)-6-(1H-indol-3-ylmethyl)-9-(2-methylpropyl)-2,5,8,11,14-pentaoxo-12-thiophen-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-3-yl]acetic acid
| Molecular Formula | C32H38N6O7S |
|---|---|
| Molecular Weight | 650.25 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 218.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 650.25226 |
| Heavy Atoms | 46 |
| Complexity | 1190.0 |
Chemical Identifiers
| CAS Number | 136554-29-5 |
|---|---|
| SMILES | CC(C)C[C@H]1C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](C(=O)N1)C3=CC=CS3)CC(=O)O)CC4=CNC5=CC=CC=C54 |
| InChIKey | KXUDUVUGZWJNHV-QEXRHJMMSA-N |
Product Overview
BQ 518 (CAS 136554-29-5), with molecular formula C32H38N6O7S and molecular weight 650.25 g/mol. IUPAC: 2-[(3R,6R,9S,12S,15S)-6-(1H-indol-3-ylmethyl)-9-(2-methylpropyl)-2,5,8,11,14-pentaoxo-12-thiophen-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-3-yl]acetic acid.
Chemical Property Profile of BQ 518
Property Insights of BQ 518
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BQ 518. The TPSA of 218.0 Ų indicates high polarity, suggesting BQ 518 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BQ 518 has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BQ 518?
The CAS number of BQ 518 is 136554-29-5.
What is the molecular formula of BQ 518?
The molecular formula of BQ 518 is C32H38N6O7S.
What is the molecular weight of BQ 518?
The molecular weight of BQ 518 is 650.25 g/mol.
Where can I buy BQ 518?
You can request a quote for BQ 518 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BQ 518?
Yes, KEHONG BIO provides custom synthesis services for BQ 518 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.