nchembio744-comp1
TL;DR: nchembio744-comp1 (CAS 216685-07-3) is a chemical compound with molecular formula C25H28N2O3S2 and molecular weight 468.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3-hydroxypropylsulfanyl)-3-methyl-1-(2-methylpropyl)-6-(naphthalen-1-ylmethyl)thieno[2,3-d]pyrimidine-2,4-dione
Also Known As: nchembio744-comp1, Thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione, 3, 5-((3-hydroxypropyl)thio)-1-isobutyl-3-methyl-6-(naphthalen-1-ylmethyl)thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione, 5-(3-hydroxypropylsulfanyl)-3-methyl-1-(2-methylpropyl)-6-(naphthalen-1-ylmethyl)thieno[2,3-d]pyrimidine-2,4-dione, 5-[(3-Hydroxypropyl)thio]-3-methyl-1-(2-methylpropyl)-6-(1-naphthalenylmethyl)thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
| Molecular Formula | C25H28N2O3S2 |
|---|---|
| Molecular Weight | 468.15 g/mol |
| LogP | 4.6362 |
| Topological Polar Surface Area | 64.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 468.15414 |
| Heavy Atoms | 32 |
| Complexity | 1376.7129 |
Chemical Identifiers
| CAS Number | 216685-07-3 |
|---|---|
| SMILES | CC(C)CN1C2=C(C(=C(S2)CC3=CC=CC4=CC=CC=C43)SCCCO)C(=O)N(C1=O)C |
Product Overview
nchembio744-comp1 (CAS 216685-07-3), with molecular formula C25H28N2O3S2 and molecular weight 468.15 g/mol. IUPAC: 5-(3-hydroxypropylsulfanyl)-3-methyl-1-(2-methylpropyl)-6-(naphthalen-1-ylmethyl)thieno[2,3-d]pyrimidine-2,4-dione.
Chemical Property Profile of nchembio744-comp1
Property Insights of nchembio744-comp1
The XLogP value of 4.6362 indicates that nchembio744-comp1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.23 Ų falls within the moderate polarity range, balancing permeability and solubility for nchembio744-comp1. Following Lipinski's Rule of Five, nchembio744-comp1 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-comp1?
The CAS number of nchembio744-comp1 is 216685-07-3.
What is the molecular formula of nchembio744-comp1?
The molecular formula of nchembio744-comp1 is C25H28N2O3S2.
What is the molecular weight of nchembio744-comp1?
The molecular weight of nchembio744-comp1 is 468.15 g/mol.
Where can I buy nchembio744-comp1?
You can request a quote for nchembio744-comp1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for nchembio744-comp1?
Yes, KEHONG BIO provides custom synthesis services for nchembio744-comp1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.