1,5-Dihydro-3-(3-sulfopropyl)lumiflavin
TL;DR: 1,5-Dihydro-3-(3-sulfopropyl)lumiflavin (CAS 91385-12-5) is a chemical compound with molecular formula C16H20N4O5S and molecular weight 380.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(7,8,10-trimethyl-2,4-dioxo-1,5-dihydrobenzo[g]pteridin-3-yl)propane-1-sulfonic acid
Also Known As: FlH2, 1,5-Dihydro-3-(3-sulfopropyl)lumiflavin, 3-(7,8,10-trimethyl-2,4-dioxo-1,5-dihydrobenzo[g]pteridin-3-yl)propane-1-sulfonic acid, 3-(7,8,10-Trimethyl-2,4-dioxo-1,4,5,10-tetrahydrobenzo[g]pteridin-3(2H)-yl)propane-1-sulfonic acid, Benzo[g]pteridine-3(2H)-propanesulfonicacid, 1,4,5,10-tetrahydro-7,8,10-trimethyl-2,4-dioxo-
| Molecular Formula | C16H20N4O5S |
|---|---|
| Molecular Weight | 380.12 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 380.11545 |
| Heavy Atoms | 26 |
| Complexity | 744.0 |
Chemical Identifiers
| CAS Number | 91385-12-5 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)N(C3=C(N2)C(=O)N(C(=O)N3)CCCS(=O)(=O)O)C |
| InChIKey | MYQMFPRXICJOND-UHFFFAOYSA-N |
Product Overview
1,5-Dihydro-3-(3-sulfopropyl)lumiflavin (CAS 91385-12-5), with molecular formula C16H20N4O5S and molecular weight 380.12 g/mol. IUPAC: 3-(7,8,10-trimethyl-2,4-dioxo-1,5-dihydrobenzo[g]pteridin-3-yl)propane-1-sulfonic acid.
Chemical Property Profile of 1,5-Dihydro-3-(3-sulfopropyl)lumiflavin
Property Insights of 1,5-Dihydro-3-(3-sulfopropyl)lumiflavin
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,5-Dihydro-3-(3-sulfopropyl)lumiflavin. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,5-Dihydro-3-(3-sulfopropyl)lumiflavin. Following Lipinski's Rule of Five, 1,5-Dihydro-3-(3-sulfopropyl)lumiflavin has 3 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 1,5-Dihydro-3-(3-sulfopropyl)lumiflavin?
The CAS number of 1,5-Dihydro-3-(3-sulfopropyl)lumiflavin is 91385-12-5.
What is the molecular formula of 1,5-Dihydro-3-(3-sulfopropyl)lumiflavin?
The molecular formula of 1,5-Dihydro-3-(3-sulfopropyl)lumiflavin is C16H20N4O5S.
What is the molecular weight of 1,5-Dihydro-3-(3-sulfopropyl)lumiflavin?
The molecular weight of 1,5-Dihydro-3-(3-sulfopropyl)lumiflavin is 380.12 g/mol.
Where can I buy 1,5-Dihydro-3-(3-sulfopropyl)lumiflavin?
You can request a quote for 1,5-Dihydro-3-(3-sulfopropyl)lumiflavin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,5-Dihydro-3-(3-sulfopropyl)lumiflavin?
Yes, KEHONG BIO provides custom synthesis services for 1,5-Dihydro-3-(3-sulfopropyl)lumiflavin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.