Benzene, 1-(1,3-butadiynyl)-4-methyl-
TL;DR: Benzene, 1-(1,3-butadiynyl)-4-methyl- (CAS 38177-85-4) is a chemical compound with molecular formula C11H8 and molecular weight 140.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-buta-1,3-diynyl-4-methylbenzene
Also Known As: Benzene,1- -4-methyl-, 4-(1,3-Butynyl)toluene, 1-buta-1,3-diynyl-4-methylbenzene, 1-(buta-1,3-diyn-1-yl)-4-methylbenzene, BENZENE, 1-(1,3-BUTADIYNYL)-4-METHYL-
| Molecular Formula | C11H8 |
|---|---|
| Molecular Weight | 140.06 g/mol |
| LogP | 1.97972 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 140.0626 |
| Heavy Atoms | 11 |
| Complexity | 325.03156 |
Chemical Identifiers
| CAS Number | 38177-85-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C#CC#C |
Product Overview
Benzene, 1-(1,3-butadiynyl)-4-methyl- (CAS 38177-85-4), with molecular formula C11H8 and molecular weight 140.06 g/mol. IUPAC: 1-buta-1,3-diynyl-4-methylbenzene.
Chemical Property Profile of Benzene, 1-(1,3-butadiynyl)-4-methyl-
Property Insights of Benzene, 1-(1,3-butadiynyl)-4-methyl-
The XLogP value of 1.97972 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene, 1-(1,3-butadiynyl)-4-methyl-. With a topological polar surface area (TPSA) of 0.0 Ų, Benzene, 1-(1,3-butadiynyl)-4-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-(1,3-butadiynyl)-4-methyl- has 0 hydrogen bond donor(s) and 0 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 Benzene, 1-(1,3-butadiynyl)-4-methyl-?
The CAS number of Benzene, 1-(1,3-butadiynyl)-4-methyl- is 38177-85-4.
What is the molecular formula of Benzene, 1-(1,3-butadiynyl)-4-methyl-?
The molecular formula of Benzene, 1-(1,3-butadiynyl)-4-methyl- is C11H8.
What is the molecular weight of Benzene, 1-(1,3-butadiynyl)-4-methyl-?
The molecular weight of Benzene, 1-(1,3-butadiynyl)-4-methyl- is 140.06 g/mol.
Where can I buy Benzene, 1-(1,3-butadiynyl)-4-methyl-?
You can request a quote for Benzene, 1-(1,3-butadiynyl)-4-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-(1,3-butadiynyl)-4-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-(1,3-butadiynyl)-4-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.