考布他酮D
TL;DR: 考布他酮D (CAS 662167-18-2) is a chemical compound with molecular formula C11H10N2O3 and molecular weight 218.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
考布他酮D
7-(2-hydroxyethylamino)isoquinoline-5,8-dione
Also Known As: Caulibugulone D, UPCMLD00WCaulibugD, JPUNXFPVVKDHNP-UHFFFAOYSA-, CMLD4_000127, 5,8-Isoquinolinedione,7-[ amino]-
| Molecular Formula | C11H10N2O3 |
|---|---|
| Molecular Weight | 218.07 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 79.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.06914 |
| Heavy Atoms | 16 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 662167-18-2 |
|---|---|
| SMILES | C1=CN=CC2=C1C(=O)C=C(C2=O)NCCO |
| InChIKey | JPUNXFPVVKDHNP-UHFFFAOYSA-N |
Product Overview
考布他酮D (CAS 662167-18-2), with molecular formula C11H10N2O3 and molecular weight 218.07 g/mol. IUPAC: 7-(2-hydroxyethylamino)isoquinoline-5,8-dione.
Chemical Property Profile of 考布他酮D
Property Insights of 考布他酮D
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 考布他酮D. The TPSA of 79.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 考布他酮D. Following Lipinski's Rule of Five, 考布他酮D has 2 hydrogen bond donor(s) and 5 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D?
The CAS number of 考布他酮D is 662167-18-2.
What is the molecular formula of 考布他酮D?
The molecular formula of 考布他酮D is C11H10N2O3.
What is the molecular weight of 考布他酮D?
The molecular weight of 考布他酮D is 218.07 g/mol.
Where can I buy 考布他酮D?
You can request a quote for 考布他酮D 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D?
Yes, KEHONG BIO provides custom synthesis services for 考布他酮D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.