BAS 00924216
TL;DR: BAS 00924216 (CAS 313248-72-5) is a chemical compound with molecular formula C16H19N5O5S and molecular weight 393.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 00924216, 2-[2-(3-Nitro-[1,2,4]triazol-1-yl)-acetylamino]-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid isopropyl ester, isopropyl 2-(2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, propan-2-yl 2-[[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, isopropyl 2-[({3-nitro-1H-1,2,4-triazol-1-yl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C16H19N5O5S |
|---|---|
| Molecular Weight | 393.11 g/mol |
| LogP | 2.3305 |
| Topological Polar Surface Area | 129.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 393.1107 |
| Heavy Atoms | 27 |
| Complexity | 887.8932 |
Chemical Identifiers
| CAS Number | 313248-72-5 |
|---|---|
| SMILES | CC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN3C=NC(=N3)[N+](=O)[O-] |
Product Overview
BAS 00924216 (CAS 313248-72-5), with molecular formula C16H19N5O5S and molecular weight 393.11 g/mol. IUPAC: propan-2-yl 2-[[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 00924216
Property Insights of BAS 00924216
The XLogP value of 2.3305 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00924216. The TPSA of 129.25 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00924216. Following Lipinski's Rule of Five, BAS 00924216 has 1 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 BAS 00924216?
The CAS number of BAS 00924216 is 313248-72-5.
What is the molecular formula of BAS 00924216?
The molecular formula of BAS 00924216 is C16H19N5O5S.
What is the molecular weight of BAS 00924216?
The molecular weight of BAS 00924216 is 393.11 g/mol.
Where can I buy BAS 00924216?
You can request a quote for BAS 00924216 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00924216?
Yes, KEHONG BIO provides custom synthesis services for BAS 00924216 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.