NCI60_037246
TL;DR: NCI60_037246 (CAS 907969-25-9) is a chemical compound with molecular formula C19H14Cl2N4O3S3 and molecular weight 511.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-amino-6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]-4-chloro-5-methyl-2-sulfanylbenzenesulfonamide
Also Known As: NCI60_037246, N-[3-amino-6-(4-chlorophenyl)-4-oxo-thieno[3,2-d]pyrimidin-2-yl]-4-chloro-5-methyl-2-sulfanyl-benzenesulfonamide, N-(3-Amino-6-(4-chlorophenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)-4-chloro-2-mercapto-5-methylbenzenesulfonamide, N-[3-Amino-6-(4-chlorophenyl)-3,4-dihydro-4-oxothieno[3,2-d]pyrimidin-2-yl]-4-chloro-2-mercapto-5-methylbenzenesulfonamide, N-[3-amino-6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]-4-chloro-5-methyl-2-sulfanylbenzenesulfonamide
| Molecular Formula | C19H14Cl2N4O3S3 |
|---|---|
| Molecular Weight | 511.96 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 142.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 511.9605 |
| Heavy Atoms | 31 |
| Complexity | 832.0 |
Chemical Identifiers
| CAS Number | 907969-25-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NC3=C(C(=O)N2N)SC(=C3)C4=CC=C(C=C4)Cl |
| InChIKey | PDMQWTCMIGLFIP-UHFFFAOYSA-N |
Product Overview
NCI60_037246 (CAS 907969-25-9), with molecular formula C19H14Cl2N4O3S3 and molecular weight 511.96 g/mol. IUPAC: N-[3-amino-6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]-4-chloro-5-methyl-2-sulfanylbenzenesulfonamide.
Chemical Property Profile of NCI60_037246
Property Insights of NCI60_037246
The XLogP value of 4.5 indicates that NCI60_037246 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.0 Ų indicates high polarity, suggesting NCI60_037246 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, NCI60_037246 has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of NCI60_037246?
The CAS number of NCI60_037246 is 907969-25-9.
What is the molecular formula of NCI60_037246?
The molecular formula of NCI60_037246 is C19H14Cl2N4O3S3.
What is the molecular weight of NCI60_037246?
The molecular weight of NCI60_037246 is 511.96 g/mol.
Where can I buy NCI60_037246?
You can request a quote for NCI60_037246 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_037246?
Yes, KEHONG BIO provides custom synthesis services for NCI60_037246 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.