BAS 00331765
TL;DR: BAS 00331765 (CAS 328274-57-3) is a chemical compound with molecular formula C14H14N6O3S2 and molecular weight 378.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-(diaminomethylideneamino)sulfonylphenyl]carbamothioyl]pyridine-4-carboxamide
Also Known As: BAS 00331765, N-((4-(N-carbamimidoylsulfamoyl)phenyl)carbamothioyl)isonicotinamide, N-[[4-(diaminomethylideneamino)sulfonylphenyl]carbamothioyl]pyridine-4-carboxamide, N-{[4-(carbamimidoylsulfamoyl)phenyl]carbamothioyl}pyridine-4-carboxamide, N-[({4-[(amidinoamino)sulfonyl]phenyl}amino)thioxomethyl]-4-pyridylcarboxamide
| Molecular Formula | C14H14N6O3S2 |
|---|---|
| Molecular Weight | 378.06 g/mol |
| LogP | 0.1705 |
| Topological Polar Surface Area | 152.56 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 378.0569 |
| Heavy Atoms | 25 |
| Complexity | 907.3431 |
Chemical Identifiers
| CAS Number | 328274-57-3 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=S)NC(=O)C2=CC=NC=C2)S(=O)(=O)N=C(N)N |
Product Overview
BAS 00331765 (CAS 328274-57-3), with molecular formula C14H14N6O3S2 and molecular weight 378.06 g/mol. IUPAC: N-[[4-(diaminomethylideneamino)sulfonylphenyl]carbamothioyl]pyridine-4-carboxamide.
Chemical Property Profile of BAS 00331765
Property Insights of BAS 00331765
The XLogP value of 0.1705 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00331765. The TPSA of 152.56 Ų indicates high polarity, suggesting BAS 00331765 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 00331765 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 00331765?
The CAS number of BAS 00331765 is 328274-57-3.
What is the molecular formula of BAS 00331765?
The molecular formula of BAS 00331765 is C14H14N6O3S2.
What is the molecular weight of BAS 00331765?
The molecular weight of BAS 00331765 is 378.06 g/mol.
Where can I buy BAS 00331765?
You can request a quote for BAS 00331765 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00331765?
Yes, KEHONG BIO provides custom synthesis services for BAS 00331765 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.