KRAS G12C inhibitor 29
TL;DR: KRAS G12C inhibitor 29 (CAS 847337-63-7) is a chemical compound with molecular formula C23H21ClFN5O2 and molecular weight 453.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-9-(3-methylphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
Also Known As: KRAS G12C inhibitor 29, 3-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-9-(3-methylphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione, 3-(2-chloro-6-fluorobenzyl)-1-methyl-9-(3-methylphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione, 3-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-9-(3-methylphenyl)-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione, 3-(2-chloro-6-fluorobenzyl)-1-methyl-9-(m-tolyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
| Molecular Formula | C23H21ClFN5O2 |
|---|---|
| Molecular Weight | 453.14 g/mol |
| LogP | 3.58772 |
| Topological Polar Surface Area | 65.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 453.13678 |
| Heavy Atoms | 32 |
| Complexity | 1466.2515 |
Chemical Identifiers
| CAS Number | 847337-63-7 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2CCCN3C2=NC4=C3C(=O)N(C(=O)N4C)CC5=C(C=CC=C5Cl)F |
Product Overview
KRAS G12C inhibitor 29 (CAS 847337-63-7), with molecular formula C23H21ClFN5O2 and molecular weight 453.14 g/mol. IUPAC: 3-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-9-(3-methylphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione.
Chemical Property Profile of KRAS G12C inhibitor 29
Property Insights of KRAS G12C inhibitor 29
The XLogP value of 3.58772 indicates that KRAS G12C inhibitor 29 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.06 Ų falls within the moderate polarity range, balancing permeability and solubility for KRAS G12C inhibitor 29. Following Lipinski's Rule of Five, KRAS G12C inhibitor 29 has 0 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 KRAS G12C inhibitor 29?
The CAS number of KRAS G12C inhibitor 29 is 847337-63-7.
What is the molecular formula of KRAS G12C inhibitor 29?
The molecular formula of KRAS G12C inhibitor 29 is C23H21ClFN5O2.
What is the molecular weight of KRAS G12C inhibitor 29?
The molecular weight of KRAS G12C inhibitor 29 is 453.14 g/mol.
Where can I buy KRAS G12C inhibitor 29?
You can request a quote for KRAS G12C inhibitor 29 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KRAS G12C inhibitor 29?
Yes, KEHONG BIO provides custom synthesis services for KRAS G12C inhibitor 29 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.