KR 10876
TL;DR: KR 10876 (CAS 150433-14-0) is a chemical compound with molecular formula C23H25F2N3O6 and molecular weight 477.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyclopropyl-6,8-difluoro-7-(2-methyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)-4-oxoquinoline-3-carboxylic acid;2-hydroxypropanoic acid
Also Known As: KR 10876, 3-Quinolinecarboxylic acid, 1,4-dihydro-1-cyclopropyl-6,8-difluoro-4-oxo-7-(3,4,5,6-tetrahydro-5-methylpyrrolo(3,4-c)pyrrol-2(1H)-yl)-, mono(2-hydroxypropanoate), 1-cyclopropyl-6,8-difluoro-7-(2-methyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)-4-oxoquinoline-3-carboxylic acid; 2-hydroxypropanoic acid, 1-Cyclopropyl-6,8-difluoro-7-(5-methyl-3,4,5,6-tetrahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid--2-hydroxypropanoic acid (1/1)
| Molecular Formula | C23H25F2N3O6 |
|---|---|
| Molecular Weight | 477.17 g/mol |
| LogP | 1.8266 |
| Topological Polar Surface Area | 123.31 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 477.17114 |
| Heavy Atoms | 34 |
| Complexity | 1263.928 |
Chemical Identifiers
| CAS Number | 150433-14-0 |
|---|---|
| SMILES | CC(C(=O)O)O.CN1CC2=C(C1)CN(C2)C3=C(C=C4C(=C3F)N(C=C(C4=O)C(=O)O)C5CC5)F |
Product Overview
KR 10876 (CAS 150433-14-0), with molecular formula C23H25F2N3O6 and molecular weight 477.17 g/mol. IUPAC: 1-cyclopropyl-6,8-difluoro-7-(2-methyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)-4-oxoquinoline-3-carboxylic acid;2-hydroxypropanoic acid.
Chemical Property Profile of KR 10876
Property Insights of KR 10876
The XLogP value of 1.8266 suggests moderate lipophilicity, balancing water solubility and membrane permeability for KR 10876. The TPSA of 123.31 Ų falls within the moderate polarity range, balancing permeability and solubility for KR 10876. Following Lipinski's Rule of Five, KR 10876 has 3 hydrogen bond donor(s) and 6 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 KR 10876?
The CAS number of KR 10876 is 150433-14-0.
What is the molecular formula of KR 10876?
The molecular formula of KR 10876 is C23H25F2N3O6.
What is the molecular weight of KR 10876?
The molecular weight of KR 10876 is 477.17 g/mol.
Where can I buy KR 10876?
You can request a quote for KR 10876 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KR 10876?
Yes, KEHONG BIO provides custom synthesis services for KR 10876 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.