考布他酮B
TL;DR: 考布他酮B (CAS 662167-16-0) is a chemical compound with molecular formula C10H7BrN2O2 and molecular weight 265.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
考布他酮B
6-bromo-7-(methylamino)isoquinoline-5,8-dione
Also Known As: Caulibugulone B, UPCMLD00WCaulibugB, 6-bromo-7-(methylamino)isoquinoline-5,8-dione, YZQJGPPACTZUKY-UHFFFAOYSA-, CMLD4_000048
| Molecular Formula | C10H7BrN2O2 |
|---|---|
| Molecular Weight | 265.97 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 59.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 265.9691 |
| Heavy Atoms | 15 |
| Complexity | 351.0 |
Chemical Identifiers
| CAS Number | 662167-16-0 |
|---|---|
| SMILES | CNC1=C(C(=O)C2=C(C1=O)C=NC=C2)Br |
| InChIKey | YZQJGPPACTZUKY-UHFFFAOYSA-N |
Product Overview
考布他酮B (CAS 662167-16-0), with molecular formula C10H7BrN2O2 and molecular weight 265.97 g/mol. IUPAC: 6-bromo-7-(methylamino)isoquinoline-5,8-dione.
Chemical Property Profile of 考布他酮B
Property Insights of 考布他酮B
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 考布他酮B. With a topological polar surface area (TPSA) of 59.1 Ų, 考布他酮B exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 考布他酮B has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 考布他酮B?
The CAS number of 考布他酮B is 662167-16-0.
What is the molecular formula of 考布他酮B?
The molecular formula of 考布他酮B is C10H7BrN2O2.
What is the molecular weight of 考布他酮B?
The molecular weight of 考布他酮B is 265.97 g/mol.
Where can I buy 考布他酮B?
You can request a quote for 考布他酮B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 考布他酮B?
Yes, KEHONG BIO provides custom synthesis services for 考布他酮B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.