BAS 01127172
TL;DR: BAS 01127172 (CAS 315246-16-3) is a chemical compound with molecular formula C14H9N3O5S and molecular weight 331.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-7-methyl-4-(5-nitrothiophen-2-yl)-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile
Also Known As: BAS 01127172, 2-amino-7-methyl-4-(5-nitrothiophen-2-yl)-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile, 2-amino-7-methyl-4-(5-nitrothiophen-2-yl)-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile, 2-Amino-7-methyl-4-(5-nitro-thiophen-2-yl)-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile, 2-amino-7-methyl-4-(5-nitrothiophen-2-yl)-5-oxo-4,5-dihydropyrano[4,3-b]pyran-3-carbonitrile
| Molecular Formula | C14H9N3O5S |
|---|---|
| Molecular Weight | 331.03 g/mol |
| LogP | 2.1361 |
| Topological Polar Surface Area | 132.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 331.0263 |
| Heavy Atoms | 23 |
| Complexity | 950.05286 |
Chemical Identifiers
| CAS Number | 315246-16-3 |
|---|---|
| SMILES | CC1=CC2=C(C(C(=C(O2)N)C#N)C3=CC=C(S3)[N+](=O)[O-])C(=O)O1 |
Product Overview
BAS 01127172 (CAS 315246-16-3), with molecular formula C14H9N3O5S and molecular weight 331.03 g/mol. IUPAC: 2-amino-7-methyl-4-(5-nitrothiophen-2-yl)-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile.
Chemical Property Profile of BAS 01127172
Property Insights of BAS 01127172
The XLogP value of 2.1361 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01127172. The TPSA of 132.39 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01127172. Following Lipinski's Rule of Five, BAS 01127172 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 01127172?
The CAS number of BAS 01127172 is 315246-16-3.
What is the molecular formula of BAS 01127172?
The molecular formula of BAS 01127172 is C14H9N3O5S.
What is the molecular weight of BAS 01127172?
The molecular weight of BAS 01127172 is 331.03 g/mol.
Where can I buy BAS 01127172?
You can request a quote for BAS 01127172 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01127172?
Yes, KEHONG BIO provides custom synthesis services for BAS 01127172 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.