CBChromo1_000077
TL;DR: CBChromo1_000077 (CAS 331445-74-0) is a chemical compound with molecular formula C18H17N5O4S3 and molecular weight 463.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-[[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]carbamothioyl]-3-(furan-2-yl)prop-2-enamide
Also Known As: CBChromo1_000077, BAS 00413542, (E)-N-[[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]carbamothioyl]-3-(furan-2-yl)prop-2-enamide, (2E)-N-({4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}carbamothioyl)-3-(furan-2-yl)prop-2-enamide, (E)-N-((4-(N-(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl)phenyl)carbamothioyl)-3-(furan-2-yl)acrylamide
| Molecular Formula | C18H17N5O4S3 |
|---|---|
| Molecular Weight | 463.04 g/mol |
| LogP | 3.0207 |
| Topological Polar Surface Area | 126.22 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 463.04428 |
| Heavy Atoms | 30 |
| Complexity | 1152.9155 |
Chemical Identifiers
| CAS Number | 331445-74-0 |
|---|---|
| SMILES | CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC=CO3 |
Product Overview
CBChromo1_000077 (CAS 331445-74-0), with molecular formula C18H17N5O4S3 and molecular weight 463.04 g/mol. IUPAC: (E)-N-[[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]carbamothioyl]-3-(furan-2-yl)prop-2-enamide.
Chemical Property Profile of CBChromo1_000077
Property Insights of CBChromo1_000077
The XLogP value of 3.0207 indicates that CBChromo1_000077 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.22 Ų falls within the moderate polarity range, balancing permeability and solubility for CBChromo1_000077. Following Lipinski's Rule of Five, CBChromo1_000077 has 3 hydrogen bond donor(s) and 8 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 CBChromo1_000077?
The CAS number of CBChromo1_000077 is 331445-74-0.
What is the molecular formula of CBChromo1_000077?
The molecular formula of CBChromo1_000077 is C18H17N5O4S3.
What is the molecular weight of CBChromo1_000077?
The molecular weight of CBChromo1_000077 is 463.04 g/mol.
Where can I buy CBChromo1_000077?
You can request a quote for CBChromo1_000077 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBChromo1_000077?
Yes, KEHONG BIO provides custom synthesis services for CBChromo1_000077 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.