Butyric acid, 4-amino-4-phenyl-, octyl ester, hydrochloride, DL-
TL;DR: Butyric acid, 4-amino-4-phenyl-, octyl ester, hydrochloride, DL- (CAS 87253-03-0) is a chemical compound with molecular formula C18H30ClNO2 and molecular weight 327.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octyl 4-amino-4-phenylbutanoate;hydrochloride
Also Known As: DL-4-Amino-4-phenylbutyric acid octyl ester hydrochloride, Butyric acid, 4-amino-4-phenyl-, octyl ester, hydrochloride, DL-, octyl 4-amino-4-phenylbutanoate hydrochloride, DL-4-Phenyl-4-aminobuttersaeure-n-octylaester hydrochlorid, DL-4-Phenyl-4-aminobuttersaeure-n-octylaester hydrochlorid [German]
| Molecular Formula | C18H30ClNO2 |
|---|---|
| Molecular Weight | 327.20 g/mol |
| LogP | 4.7921 |
| Topological Polar Surface Area | 52.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 327.1965 |
| Heavy Atoms | 22 |
| Complexity | 383.93335 |
Chemical Identifiers
| CAS Number | 87253-03-0 |
|---|---|
| SMILES | CCCCCCCCOC(=O)CCC(C1=CC=CC=C1)N.Cl |
Product Overview
Butyric acid, 4-amino-4-phenyl-, octyl ester, hydrochloride, DL- (CAS 87253-03-0), with molecular formula C18H30ClNO2 and molecular weight 327.20 g/mol. IUPAC: octyl 4-amino-4-phenylbutanoate;hydrochloride.
Chemical Property Profile of Butyric acid, 4-amino-4-phenyl-, octyl ester, hydrochloride, DL-
Property Insights of Butyric acid, 4-amino-4-phenyl-, octyl ester, hydrochloride, DL-
The XLogP value of 4.7921 indicates that Butyric acid, 4-amino-4-phenyl-, octyl ester, hydrochloride, DL- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.32 Ų, Butyric acid, 4-amino-4-phenyl-, octyl ester, hydrochloride, DL- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyric acid, 4-amino-4-phenyl-, octyl ester, hydrochloride, DL- has 1 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 Butyric acid, 4-amino-4-phenyl-, octyl ester, hydrochloride, DL-?
The CAS number of Butyric acid, 4-amino-4-phenyl-, octyl ester, hydrochloride, DL- is 87253-03-0.
What is the molecular formula of Butyric acid, 4-amino-4-phenyl-, octyl ester, hydrochloride, DL-?
The molecular formula of Butyric acid, 4-amino-4-phenyl-, octyl ester, hydrochloride, DL- is C18H30ClNO2.
What is the molecular weight of Butyric acid, 4-amino-4-phenyl-, octyl ester, hydrochloride, DL-?
The molecular weight of Butyric acid, 4-amino-4-phenyl-, octyl ester, hydrochloride, DL- is 327.20 g/mol.
Where can I buy Butyric acid, 4-amino-4-phenyl-, octyl ester, hydrochloride, DL-?
You can request a quote for Butyric acid, 4-amino-4-phenyl-, octyl ester, hydrochloride, DL- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyric acid, 4-amino-4-phenyl-, octyl ester, hydrochloride, DL-?
Yes, KEHONG BIO provides custom synthesis services for Butyric acid, 4-amino-4-phenyl-, octyl ester, hydrochloride, DL- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.