S.pombe lumazine synthase-IN-1
TL;DR: S.pombe lumazine synthase-IN-1 (CAS 331726-35-3) is a chemical compound with molecular formula C14H13N3O6 and molecular weight 319.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione
Also Known As: S.pombe lumazine synthase-IN-1, S Pombe lumazine synthase-in-1, BAS 08170810, 6-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione, 6-(3,4-dimethoxystyryl)-5-nitropyrimidine-2,4(1H,3H)-dione
| Molecular Formula | C14H13N3O6 |
|---|---|
| Molecular Weight | 319.08 g/mol |
| LogP | 1.159 |
| Topological Polar Surface Area | 127.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 319.08044 |
| Heavy Atoms | 23 |
| Complexity | 880.8118 |
Chemical Identifiers
| CAS Number | 331726-35-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=C/C2=C(C(=O)NC(=O)N2)[N+](=O)[O-])OC |
Product Overview
S.pombe lumazine synthase-IN-1 (CAS 331726-35-3), with molecular formula C14H13N3O6 and molecular weight 319.08 g/mol. IUPAC: 6-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione.
Chemical Property Profile of S.pombe lumazine synthase-IN-1
Property Insights of S.pombe lumazine synthase-IN-1
The XLogP value of 1.159 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S.pombe lumazine synthase-IN-1. The TPSA of 127.32 Ų falls within the moderate polarity range, balancing permeability and solubility for S.pombe lumazine synthase-IN-1. Following Lipinski's Rule of Five, S.pombe lumazine synthase-IN-1 has 2 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 S.pombe lumazine synthase-IN-1?
The CAS number of S.pombe lumazine synthase-IN-1 is 331726-35-3.
What is the molecular formula of S.pombe lumazine synthase-IN-1?
The molecular formula of S.pombe lumazine synthase-IN-1 is C14H13N3O6.
What is the molecular weight of S.pombe lumazine synthase-IN-1?
The molecular weight of S.pombe lumazine synthase-IN-1 is 319.08 g/mol.
Where can I buy S.pombe lumazine synthase-IN-1?
You can request a quote for S.pombe lumazine synthase-IN-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S.pombe lumazine synthase-IN-1?
Yes, KEHONG BIO provides custom synthesis services for S.pombe lumazine synthase-IN-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.