![N-[5-({3-[(4-methoxyphenyl)amino]-3-oxopropyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-(4-oxoquinazolin-3(4H)-yl)propanamide structure](/static/products/831/831247-50-8.png)
N-[5-({3-[(4-methoxyphenyl)amino]-3-oxopropyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-(4-oxoquinazolin-3(4H)-yl)propanamide
TL;DR: N-[5-({3-[(4-methoxyphenyl)amino]-3-oxopropyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-(4-oxoquinazolin-3(4H)-yl)propanamide (CAS 831247-50-8) is a chemical compound with molecular formula C23H22N6O4S2 and molecular weight 510.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[3-(4-methoxyanilino)-3-oxopropyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-(4-oxoquinazolin-3-yl)propanamide
Also Known As: N-[5-({3-[(4-methoxyphenyl)amino]-3-oxopropyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-(4-oxoquinazolin-3(4H)-yl)propanamide, N-[5-[3-(4-methoxyanilino)-3-oxopropyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-(4-oxoquinazolin-3-yl)propanamide
| Molecular Formula | C23H22N6O4S2 |
|---|---|
| Molecular Weight | 510.11 g/mol |
| LogP | 3.4063 |
| Topological Polar Surface Area | 128.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 510.1144 |
| Heavy Atoms | 35 |
| Complexity | 1386.798 |
Chemical Identifiers
| CAS Number | 831247-50-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC(=O)CCSC2=NN=C(S2)NC(=O)CCN3C=NC4=CC=CC=C4C3=O |
Product Overview
N-[5-({3-[(4-methoxyphenyl)amino]-3-oxopropyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-(4-oxoquinazolin-3(4H)-yl)propanamide (CAS 831247-50-8), with molecular formula C23H22N6O4S2 and molecular weight 510.11 g/mol. IUPAC: N-[5-[3-(4-methoxyanilino)-3-oxopropyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-(4-oxoquinazolin-3-yl)propanamide.
Chemical Property Profile of N-[5-({3-[(4-methoxyphenyl)amino]-3-oxopropyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-(4-oxoquinazolin-3(4H)-yl)propanamide
Property Insights of N-[5-({3-[(4-methoxyphenyl)amino]-3-oxopropyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-(4-oxoquinazolin-3(4H)-yl)propanamide
The XLogP value of 3.4063 indicates that N-[5-({3-[(4-methoxyphenyl)amino]-3-oxopropyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-(4-oxoquinazolin-3(4H)-yl)propanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 128.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[5-({3-[(4-methoxyphenyl)amino]-3-oxopropyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-(4-oxoquinazolin-3(4H)-yl)propanamide. Following Lipinski's Rule of Five, N-[5-({3-[(4-methoxyphenyl)amino]-3-oxopropyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-(4-oxoquinazolin-3(4H)-yl)propanamide has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[5-({3-[(4-methoxyphenyl)amino]-3-oxopropyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-(4-oxoquinazolin-3(4H)-yl)propanamide?
The CAS number of N-[5-({3-[(4-methoxyphenyl)amino]-3-oxopropyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-(4-oxoquinazolin-3(4H)-yl)propanamide is 831247-50-8.
What is the molecular formula of N-[5-({3-[(4-methoxyphenyl)amino]-3-oxopropyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-(4-oxoquinazolin-3(4H)-yl)propanamide?
The molecular formula of N-[5-({3-[(4-methoxyphenyl)amino]-3-oxopropyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-(4-oxoquinazolin-3(4H)-yl)propanamide is C23H22N6O4S2.
What is the molecular weight of N-[5-({3-[(4-methoxyphenyl)amino]-3-oxopropyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-(4-oxoquinazolin-3(4H)-yl)propanamide?
The molecular weight of N-[5-({3-[(4-methoxyphenyl)amino]-3-oxopropyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-(4-oxoquinazolin-3(4H)-yl)propanamide is 510.11 g/mol.
Where can I buy N-[5-({3-[(4-methoxyphenyl)amino]-3-oxopropyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-(4-oxoquinazolin-3(4H)-yl)propanamide?
You can request a quote for N-[5-({3-[(4-methoxyphenyl)amino]-3-oxopropyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-(4-oxoquinazolin-3(4H)-yl)propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[5-({3-[(4-methoxyphenyl)amino]-3-oxopropyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-(4-oxoquinazolin-3(4H)-yl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for N-[5-({3-[(4-methoxyphenyl)amino]-3-oxopropyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-(4-oxoquinazolin-3(4H)-yl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.