BAS 00924218
TL;DR: BAS 00924218 (CAS 313397-22-7) is a chemical compound with molecular formula C14H16N6O4S and molecular weight 364.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-2-[[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: BAS 00924218, 6-methyl-2-[[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-[({3-nitro-1H-1,2,4-triazol-1-yl}acetyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 6-methyl-2-(2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide, 6-methyl-2-{[(3-nitro-1H-1,2,4-triazol-1-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
| Molecular Formula | C14H16N6O4S |
|---|---|
| Molecular Weight | 364.10 g/mol |
| LogP | 1.1102 |
| Topological Polar Surface Area | 146.04 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 364.09537 |
| Heavy Atoms | 25 |
| Complexity | 857.6243 |
Chemical Identifiers
| CAS Number | 313397-22-7 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CN3C=NC(=N3)[N+](=O)[O-] |
Product Overview
BAS 00924218 (CAS 313397-22-7), with molecular formula C14H16N6O4S and molecular weight 364.10 g/mol. IUPAC: 6-methyl-2-[[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of BAS 00924218
Property Insights of BAS 00924218
The XLogP value of 1.1102 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00924218. The TPSA of 146.04 Ų indicates high polarity, suggesting BAS 00924218 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 00924218 has 2 hydrogen bond donor(s) and 7 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 00924218?
The CAS number of BAS 00924218 is 313397-22-7.
What is the molecular formula of BAS 00924218?
The molecular formula of BAS 00924218 is C14H16N6O4S.
What is the molecular weight of BAS 00924218?
The molecular weight of BAS 00924218 is 364.10 g/mol.
Where can I buy BAS 00924218?
You can request a quote for BAS 00924218 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00924218?
Yes, KEHONG BIO provides custom synthesis services for BAS 00924218 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.