BU 4704
TL;DR: BU 4704 (CAS 149997-61-5) is a chemical compound with molecular formula C19H14N2O5S and molecular weight 382.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(1Z,3Z)-2,3-diisocyano-4-(4-methoxyphenyl)buta-1,3-dienyl]phenyl] hydrogen sulfate
Also Known As: BU 4704, 4-[(1Z,3Z)-2,3-diisocyano-4-(4-methoxyphenyl)buta-1,3-dien-1-yl]phenyl hydrogen sulfate, [4-[(1Z,3Z)-2,3-diisocyano-4-(4-methoxyphenyl)buta-1,3-dienyl]phenyl] hydrogen sulfate, 1-[(1Z,3Z)-2,3-diisocyano-4-(4-methoxyphenyl)buta-1,3-dienyl]-4-sulfooxy-benzene, 4-[(1Z,3Z)-2,3-Diisocyano-4-(4-methoxyphenyl)-1,3-butadien-1-yl]phenyl hydrogen sulfate
| Molecular Formula | C19H14N2O5S |
|---|---|
| Molecular Weight | 382.06 g/mol |
| LogP | 4.09738 |
| Topological Polar Surface Area | 81.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 382.06235 |
| Heavy Atoms | 27 |
| Complexity | 1055.0685 |
Chemical Identifiers
| CAS Number | 149997-61-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)/C=C(/C(=C/C2=CC=C(C=C2)OS(=O)(=O)O)/[N+]#[C-])\[N+]#[C-] |
Product Overview
BU 4704 (CAS 149997-61-5), with molecular formula C19H14N2O5S and molecular weight 382.06 g/mol. IUPAC: [4-[(1Z,3Z)-2,3-diisocyano-4-(4-methoxyphenyl)buta-1,3-dienyl]phenyl] hydrogen sulfate.
Chemical Property Profile of BU 4704
Property Insights of BU 4704
The XLogP value of 4.09738 indicates that BU 4704 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.55 Ų falls within the moderate polarity range, balancing permeability and solubility for BU 4704. Following Lipinski's Rule of Five, BU 4704 has 1 hydrogen bond donor(s) and 4 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 BU 4704?
The CAS number of BU 4704 is 149997-61-5.
What is the molecular formula of BU 4704?
The molecular formula of BU 4704 is C19H14N2O5S.
What is the molecular weight of BU 4704?
The molecular weight of BU 4704 is 382.06 g/mol.
Where can I buy BU 4704?
You can request a quote for BU 4704 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BU 4704?
Yes, KEHONG BIO provides custom synthesis services for BU 4704 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.