Bayer 1694
TL;DR: Bayer 1694 (CAS 67013-99-4) is a chemical compound with molecular formula C28H32N10O10S2 and molecular weight 732.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl sulfate;1-[4-(3-methyltriazol-3-ium-1-yl)phenyl]-3-[4-[[4-(3-methyltriazol-3-ium-1-yl)phenyl]carbamoylamino]phenyl]urea
Also Known As: Bayer 1694, BAY b 1694, BAY d 7502, KST-1B7214, 1H-1,2,3-Triazolium, 1,1'-(p-phenylenebis(ureylene-p-phenylene))bis(3-methyl-, bis(methyl sulfate)
| Molecular Formula | C28H32N10O10S2 |
|---|---|
| Molecular Weight | 732.17 g/mol |
| LogP | 1.181 |
| Topological Polar Surface Area | 275.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 732.17444 |
| Heavy Atoms | 50 |
| Complexity | 805.0 |
Chemical Identifiers
| CAS Number | 67013-99-4 |
|---|---|
| SMILES | C[N+]1=NN(C=C1)C2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)NC(=O)NC4=CC=C(C=C4)N5C=C[N+](=N5)C.COS(=O)(=O)[O-].COS(=O)(=O)[O-] |
| InChIKey | JKVMXBWUUDSQOQ-UHFFFAOYSA-N |
Product Overview
Bayer 1694 (CAS 67013-99-4), with molecular formula C28H32N10O10S2 and molecular weight 732.17 g/mol. IUPAC: methyl sulfate;1-[4-(3-methyltriazol-3-ium-1-yl)phenyl]-3-[4-[[4-(3-methyltriazol-3-ium-1-yl)phenyl]carbamoylamino]phenyl]urea.
Chemical Property Profile of Bayer 1694
Property Insights of Bayer 1694
The XLogP value of 1.181 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bayer 1694. The TPSA of 275.0 Ų indicates high polarity, suggesting Bayer 1694 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bayer 1694 has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bayer 1694?
The CAS number of Bayer 1694 is 67013-99-4.
What is the molecular formula of Bayer 1694?
The molecular formula of Bayer 1694 is C28H32N10O10S2.
What is the molecular weight of Bayer 1694?
The molecular weight of Bayer 1694 is 732.17 g/mol.
Where can I buy Bayer 1694?
You can request a quote for Bayer 1694 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bayer 1694?
Yes, KEHONG BIO provides custom synthesis services for Bayer 1694 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.