A3750/0158980
TL;DR: A3750/0158980 (CAS 727669-78-5) is a chemical compound with molecular formula C18H20N4O5 and molecular weight 372.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7'-nitro-1-propylspiro[1,3-diazinane-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-2,4,6-trione
Also Known As: A3750/0158980, 7'-nitro-1-propyl-1',2',3',3a'-tetrahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(1H,3H)-trione, 7'-nitro-1-propyl-2',3',3a',5'-tetrahydro-1H,1'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(3H)-trione, 7'-nitro-1-propylspiro[1,3-diazinane-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-2,4,6-trione
| Molecular Formula | C18H20N4O5 |
|---|---|
| Molecular Weight | 372.14 g/mol |
| LogP | 1.5945 |
| Topological Polar Surface Area | 112.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 372.14337 |
| Heavy Atoms | 27 |
| Complexity | 869.308 |
Chemical Identifiers
| CAS Number | 727669-78-5 |
|---|---|
| SMILES | CCCN1C(=O)C2(CC3=C(C=CC(=C3)[N+](=O)[O-])N4C2CCC4)C(=O)NC1=O |
Product Overview
A3750/0158980 (CAS 727669-78-5), with molecular formula C18H20N4O5 and molecular weight 372.14 g/mol. IUPAC: 7'-nitro-1-propylspiro[1,3-diazinane-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-2,4,6-trione.
Chemical Property Profile of A3750/0158980
Property Insights of A3750/0158980
The XLogP value of 1.5945 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3750/0158980. The TPSA of 112.86 Ų falls within the moderate polarity range, balancing permeability and solubility for A3750/0158980. Following Lipinski's Rule of Five, A3750/0158980 has 1 hydrogen bond donor(s) and 6 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 A3750/0158980?
The CAS number of A3750/0158980 is 727669-78-5.
What is the molecular formula of A3750/0158980?
The molecular formula of A3750/0158980 is C18H20N4O5.
What is the molecular weight of A3750/0158980?
The molecular weight of A3750/0158980 is 372.14 g/mol.
Where can I buy A3750/0158980?
You can request a quote for A3750/0158980 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3750/0158980?
Yes, KEHONG BIO provides custom synthesis services for A3750/0158980 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.