Buta-1,3-diene;2-methylidenebutanedioic acid;2-methylprop-2-enoic acid;styrene
TL;DR: Buta-1,3-diene;2-methylidenebutanedioic acid;2-methylprop-2-enoic acid;styrene (CAS 52831-07-9) is a chemical compound with molecular formula C21H26O6 and molecular weight 374.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
buta-1,3-diene;2-methylidenebutanedioic acid;2-methylprop-2-enoic acid;styrene
Also Known As: Butadiene, styrene, itaconic acid, methacrylic acid latex, (C8-H8.C5-H6-O4.C4-H6-O2.C4-H6)x-, buta-1,3-diene; 2-methylidenebutanedioic acid; 2-methylprop-2-enoic acid; styrene, Butanedioic acid, methylene-, polymer with 1,3-butadiene, ethenylbenzene and 2-methyl-2-propenoic acid, Butanedioic acid, 2-methylene-, polymer with 1,3-butadiene, ethenylbenzene and 2-methyl-2-propenoic acid
| Molecular Formula | C21H26O6 |
|---|---|
| Molecular Weight | 374.17 g/mol |
| LogP | 4.437 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 374.17294 |
| Heavy Atoms | 27 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 52831-07-9 |
|---|---|
| SMILES | CC(=C)C(=O)O.C=CC=C.C=CC1=CC=CC=C1.C=C(CC(=O)O)C(=O)O |
| InChIKey | LZDPPGZSYRGPFX-UHFFFAOYSA-N |
Product Overview
Buta-1,3-diene;2-methylidenebutanedioic acid;2-methylprop-2-enoic acid;styrene (CAS 52831-07-9), with molecular formula C21H26O6 and molecular weight 374.17 g/mol. IUPAC: buta-1,3-diene;2-methylidenebutanedioic acid;2-methylprop-2-enoic acid;styrene.
Chemical Property Profile of Buta-1,3-diene;2-methylidenebutanedioic acid;2-methylprop-2-enoic acid;styrene
Property Insights of Buta-1,3-diene;2-methylidenebutanedioic acid;2-methylprop-2-enoic acid;styrene
The XLogP value of 4.437 indicates that Buta-1,3-diene;2-methylidenebutanedioic acid;2-methylprop-2-enoic acid;styrene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Buta-1,3-diene;2-methylidenebutanedioic acid;2-methylprop-2-enoic acid;styrene. Following Lipinski's Rule of Five, Buta-1,3-diene;2-methylidenebutanedioic acid;2-methylprop-2-enoic acid;styrene has 3 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 Buta-1,3-diene;2-methylidenebutanedioic acid;2-methylprop-2-enoic acid;styrene?
The CAS number of Buta-1,3-diene;2-methylidenebutanedioic acid;2-methylprop-2-enoic acid;styrene is 52831-07-9.
What is the molecular formula of Buta-1,3-diene;2-methylidenebutanedioic acid;2-methylprop-2-enoic acid;styrene?
The molecular formula of Buta-1,3-diene;2-methylidenebutanedioic acid;2-methylprop-2-enoic acid;styrene is C21H26O6.
What is the molecular weight of Buta-1,3-diene;2-methylidenebutanedioic acid;2-methylprop-2-enoic acid;styrene?
The molecular weight of Buta-1,3-diene;2-methylidenebutanedioic acid;2-methylprop-2-enoic acid;styrene is 374.17 g/mol.
Where can I buy Buta-1,3-diene;2-methylidenebutanedioic acid;2-methylprop-2-enoic acid;styrene?
You can request a quote for Buta-1,3-diene;2-methylidenebutanedioic acid;2-methylprop-2-enoic acid;styrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Buta-1,3-diene;2-methylidenebutanedioic acid;2-methylprop-2-enoic acid;styrene?
Yes, KEHONG BIO provides custom synthesis services for Buta-1,3-diene;2-methylidenebutanedioic acid;2-methylprop-2-enoic acid;styrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.