BAS 00331761
TL;DR: BAS 00331761 (CAS 1164555-17-2) is a chemical compound with molecular formula C15H15N5O4S2 and molecular weight 393.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-[[4-(diaminomethylideneamino)sulfonylphenyl]carbamothioyl]-3-(furan-2-yl)prop-2-enamide
Also Known As: BAS 00331761, (2E)-N-[({4-[(amidinoamino)sulfonyl]phenyl}amino)thioxomethyl]-3-(2-furyl)prop -2-enamide, (2E)-N-{[4-(carbamimidoylsulfamoyl)phenyl]carbamothioyl}-3-(furan-2-yl)prop-2-enamide, (E)-N-((4-(N-carbamimidoylsulfamoyl)phenyl)carbamothioyl)-3-(furan-2-yl)acrylamide, 1-[4-(CARBAMIMIDAMIDOSULFONYL)PHENYL]-3-[(2E)-3-(FURAN-2-YL)PROP-2-ENOYL]THIOUREA
| Molecular Formula | C15H15N5O4S2 |
|---|---|
| Molecular Weight | 393.06 g/mol |
| LogP | 0.7681 |
| Topological Polar Surface Area | 152.81 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 393.05655 |
| Heavy Atoms | 26 |
| Complexity | 944.4328 |
Chemical Identifiers
| CAS Number | 1164555-17-2 |
|---|---|
| SMILES | C1=COC(=C1)/C=C/C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N=C(N)N |
Product Overview
BAS 00331761 (CAS 1164555-17-2), with molecular formula C15H15N5O4S2 and molecular weight 393.06 g/mol. IUPAC: (E)-N-[[4-(diaminomethylideneamino)sulfonylphenyl]carbamothioyl]-3-(furan-2-yl)prop-2-enamide.
Chemical Property Profile of BAS 00331761
Property Insights of BAS 00331761
The XLogP value of 0.7681 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00331761. The TPSA of 152.81 Ų indicates high polarity, suggesting BAS 00331761 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 00331761 has 4 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 BAS 00331761?
The CAS number of BAS 00331761 is 1164555-17-2.
What is the molecular formula of BAS 00331761?
The molecular formula of BAS 00331761 is C15H15N5O4S2.
What is the molecular weight of BAS 00331761?
The molecular weight of BAS 00331761 is 393.06 g/mol.
Where can I buy BAS 00331761?
You can request a quote for BAS 00331761 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00331761?
Yes, KEHONG BIO provides custom synthesis services for BAS 00331761 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.