Hydrochloric acid, comp. with 2-methyl-1,3-butadiene (1:1)
TL;DR: Hydrochloric acid, comp. with 2-methyl-1,3-butadiene (1:1) (CAS 54653-62-2) is a chemical compound with molecular formula C5H9Cl and molecular weight 104.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylbuta-1,3-diene;hydrochloride
Also Known As: Isoprene monohydrochloride, isoprene hydrochloride, C5-H8.Cl-H, 2-methylbuta-1,3-diene hydrochloride, 2-methylbuta-1,3-diene hydrochloride(1:1)
| Molecular Formula | C5H9Cl |
|---|---|
| Molecular Weight | 104.04 g/mol |
| LogP | 2.1703 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 104.039276 |
| Heavy Atoms | 6 |
| Complexity | 51.0 |
Chemical Identifiers
| CAS Number | 54653-62-2 |
|---|---|
| SMILES | CC(=C)C=C.Cl |
| InChIKey | DCCQEPFMJMZBQH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hydrochloric acid, comp. with 2-methyl-1,3-butadiene (1:1) (CAS 54653-62-2), with molecular formula C5H9Cl and molecular weight 104.04 g/mol. IUPAC: 2-methylbuta-1,3-diene;hydrochloride.
Chemical Property Profile of Hydrochloric acid, comp. with 2-methyl-1,3-butadiene (1:1)
Property Insights of Hydrochloric acid, comp. with 2-methyl-1,3-butadiene (1:1)
The XLogP value of 2.1703 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hydrochloric acid, comp. with 2-methyl-1,3-butadiene (1:1). With a topological polar surface area (TPSA) of 0.0 Ų, Hydrochloric acid, comp. with 2-methyl-1,3-butadiene (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hydrochloric acid, comp. with 2-methyl-1,3-butadiene (1:1) has 1 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 Hydrochloric acid, comp. with 2-methyl-1,3-butadiene (1:1)?
The CAS number of Hydrochloric acid, comp. with 2-methyl-1,3-butadiene (1:1) is 54653-62-2.
What is the molecular formula of Hydrochloric acid, comp. with 2-methyl-1,3-butadiene (1:1)?
The molecular formula of Hydrochloric acid, comp. with 2-methyl-1,3-butadiene (1:1) is C5H9Cl.
What is the molecular weight of Hydrochloric acid, comp. with 2-methyl-1,3-butadiene (1:1)?
The molecular weight of Hydrochloric acid, comp. with 2-methyl-1,3-butadiene (1:1) is 104.04 g/mol.
Where can I buy Hydrochloric acid, comp. with 2-methyl-1,3-butadiene (1:1)?
You can request a quote for Hydrochloric acid, comp. with 2-methyl-1,3-butadiene (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hydrochloric acid, comp. with 2-methyl-1,3-butadiene (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Hydrochloric acid, comp. with 2-methyl-1,3-butadiene (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.