nchembio744-comp36
TL;DR: nchembio744-comp36 (CAS 748765-29-9) is a chemical compound with molecular formula C22H21N3O4S and molecular weight 423.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1-(2-methylpropyl)-2,4-dioxo-6-(quinolin-4-ylmethyl)thieno[2,3-d]pyrimidine-5-carboxylic acid
Also Known As: nchembio744-comp36, 1-isobutyl-3-methyl-2,4-dioxo-6-(quinolin-4-ylmethyl)-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-5-carboxylic acid, 1,2,3,4-tetrahydro-3-methyl-1-(2-methylpropyl)-2,4-dioxo-6-(4-quinolinylmethyl)thieno[2,3-d]pyrimidine-5-carboxylic acid, 3-methyl-1-(2-methylpropyl)-2,4-dioxo-6-(quinolin-4-ylmethyl)thieno[2,3-d]pyrimidine-5-carboxylic acid
| Molecular Formula | C22H21N3O4S |
|---|---|
| Molecular Weight | 423.13 g/mol |
| LogP | 3.2549 |
| Topological Polar Surface Area | 94.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 423.12527 |
| Heavy Atoms | 30 |
| Complexity | 1406.6787 |
Chemical Identifiers
| CAS Number | 748765-29-9 |
|---|---|
| SMILES | CC(C)CN1C2=C(C(=C(S2)CC3=CC=NC4=CC=CC=C34)C(=O)O)C(=O)N(C1=O)C |
Product Overview
nchembio744-comp36 (CAS 748765-29-9), with molecular formula C22H21N3O4S and molecular weight 423.13 g/mol. IUPAC: 3-methyl-1-(2-methylpropyl)-2,4-dioxo-6-(quinolin-4-ylmethyl)thieno[2,3-d]pyrimidine-5-carboxylic acid.
Chemical Property Profile of nchembio744-comp36
Property Insights of nchembio744-comp36
The XLogP value of 3.2549 indicates that nchembio744-comp36 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.19 Ų falls within the moderate polarity range, balancing permeability and solubility for nchembio744-comp36. Following Lipinski's Rule of Five, nchembio744-comp36 has 1 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 nchembio744-comp36?
The CAS number of nchembio744-comp36 is 748765-29-9.
What is the molecular formula of nchembio744-comp36?
The molecular formula of nchembio744-comp36 is C22H21N3O4S.
What is the molecular weight of nchembio744-comp36?
The molecular weight of nchembio744-comp36 is 423.13 g/mol.
Where can I buy nchembio744-comp36?
You can request a quote for nchembio744-comp36 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for nchembio744-comp36?
Yes, KEHONG BIO provides custom synthesis services for nchembio744-comp36 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.