Hydrocinnamic acid, p-(bis(2-chloroethyl)amino)-beta-methyl-, hydrochloride
TL;DR: Hydrocinnamic acid, p-(bis(2-chloroethyl)amino)-beta-methyl-, hydrochloride (CAS 3276-05-9) is a chemical compound with molecular formula C14H20Cl3NO2 and molecular weight 339.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[bis(2-chloroethyl)amino]phenyl]-2-methylpropanoic acid;hydrochloride
Also Known As: beta-p-N-Di(beta-chloroethyl)aminophenylbutyric acid hydrochloride, p-(Bis(2-chloroethyl)amino)-beta-methylhydrocinnamic acid hydrochloride, Benzenepropanoic acid, 4-(bis(2-chloroethyl)amino)-beta-methyl-, hydrochloride, HYDROCINNAMIC ACID, p-(BIS(2-CHLOROETHYL)AMINO)-beta-METHYL-, HYDROCHLORIDE, 3-[4-[bis(2-chloroethyl)amino]phenyl]-2-methylpropanoic acid hydrochloride
| Molecular Formula | C14H20Cl3NO2 |
|---|---|
| Molecular Weight | 339.06 g/mol |
| LogP | 3.66 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 339.05597 |
| Heavy Atoms | 20 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 3276-05-9 |
|---|---|
| SMILES | CC(CC1=CC=C(C=C1)N(CCCl)CCCl)C(=O)O.Cl |
| InChIKey | RULFWDFJJQKVMQ-UHFFFAOYSA-N |
Product Overview
Hydrocinnamic acid, p-(bis(2-chloroethyl)amino)-beta-methyl-, hydrochloride (CAS 3276-05-9), with molecular formula C14H20Cl3NO2 and molecular weight 339.06 g/mol. IUPAC: 3-[4-[bis(2-chloroethyl)amino]phenyl]-2-methylpropanoic acid;hydrochloride.
Chemical Property Profile of Hydrocinnamic acid, p-(bis(2-chloroethyl)amino)-beta-methyl-, hydrochloride
Property Insights of Hydrocinnamic acid, p-(bis(2-chloroethyl)amino)-beta-methyl-, hydrochloride
The XLogP value of 3.66 indicates that Hydrocinnamic acid, p-(bis(2-chloroethyl)amino)-beta-methyl-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, Hydrocinnamic acid, p-(bis(2-chloroethyl)amino)-beta-methyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hydrocinnamic acid, p-(bis(2-chloroethyl)amino)-beta-methyl-, hydrochloride has 2 hydrogen bond donor(s) and 3 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 Hydrocinnamic acid, p-(bis(2-chloroethyl)amino)-beta-methyl-, hydrochloride?
The CAS number of Hydrocinnamic acid, p-(bis(2-chloroethyl)amino)-beta-methyl-, hydrochloride is 3276-05-9.
What is the molecular formula of Hydrocinnamic acid, p-(bis(2-chloroethyl)amino)-beta-methyl-, hydrochloride?
The molecular formula of Hydrocinnamic acid, p-(bis(2-chloroethyl)amino)-beta-methyl-, hydrochloride is C14H20Cl3NO2.
What is the molecular weight of Hydrocinnamic acid, p-(bis(2-chloroethyl)amino)-beta-methyl-, hydrochloride?
The molecular weight of Hydrocinnamic acid, p-(bis(2-chloroethyl)amino)-beta-methyl-, hydrochloride is 339.06 g/mol.
Where can I buy Hydrocinnamic acid, p-(bis(2-chloroethyl)amino)-beta-methyl-, hydrochloride?
You can request a quote for Hydrocinnamic acid, p-(bis(2-chloroethyl)amino)-beta-methyl-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hydrocinnamic acid, p-(bis(2-chloroethyl)amino)-beta-methyl-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Hydrocinnamic acid, p-(bis(2-chloroethyl)amino)-beta-methyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.