BAS 00679727
TL;DR: BAS 00679727 (CAS 303136-85-8) is a chemical compound with molecular formula C18H21N3O7 and molecular weight 391.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 3,4-dimethyl-6-(6-nitro-1,3-benzodioxol-5-yl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate
Also Known As: BAS 00679727, butyl 1,6-dimethyl-4-(6-nitro-1,3-benzodioxol-5-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, butyl 3,4-dimethyl-6-(6-nitro-1,3-benzodioxol-5-yl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate, BUTYL 1,6-DIMETHYL-4-(6-NITRO-1,3-BENZODIOXOL-5-YL)-2-OXO-1,2,3,4-TETRAHYDRO-5-PYRIMIDINECARBOXYLATE, BUTYL 1,6-DIMETHYL-4-(6-NITRO-2H-1,3-BENZODIOXOL-5-YL)-2-OXO-3,4-DIHYDROPYRIMIDINE-5-CARBOXYLATE
| Molecular Formula | C18H21N3O7 |
|---|---|
| Molecular Weight | 391.14 g/mol |
| LogP | 2.6369 |
| Topological Polar Surface Area | 120.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 391.13794 |
| Heavy Atoms | 28 |
| Complexity | 864.98035 |
Chemical Identifiers
| CAS Number | 303136-85-8 |
|---|---|
| SMILES | CCCCOC(=O)C1=C(N(C(=O)NC1C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C)C |
Product Overview
BAS 00679727 (CAS 303136-85-8), with molecular formula C18H21N3O7 and molecular weight 391.14 g/mol. IUPAC: butyl 3,4-dimethyl-6-(6-nitro-1,3-benzodioxol-5-yl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate.
Chemical Property Profile of BAS 00679727
Property Insights of BAS 00679727
The XLogP value of 2.6369 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00679727. The TPSA of 120.24 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00679727. Following Lipinski's Rule of Five, BAS 00679727 has 1 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 00679727?
The CAS number of BAS 00679727 is 303136-85-8.
What is the molecular formula of BAS 00679727?
The molecular formula of BAS 00679727 is C18H21N3O7.
What is the molecular weight of BAS 00679727?
The molecular weight of BAS 00679727 is 391.14 g/mol.
Where can I buy BAS 00679727?
You can request a quote for BAS 00679727 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00679727?
Yes, KEHONG BIO provides custom synthesis services for BAS 00679727 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.