C16H20ClNO.ClH
TL;DR: C16H20ClNO.ClH (CAS 5075-95-6) is a chemical compound with molecular formula C16H21Cl2NO and molecular weight 313.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-5-cyclohex-3-en-1-ylpyrrolidin-3-ol;hydrochloride
Also Known As: 3-(p-Chlorophenyl)-5-(3-cyclohexenyl)-3-pyrrolidinol hydrochloride, 3-Pyrrolidinol, 3-(p-chlorophenyl)-5-(3-cyclohexenyl)-, hydrochloride, 3-(4-Chlorophenyl)-5-(cyclohex-3-en-1-yl)pyrrolidin-3-ol--hydrogen chloride (1/1), 3-(4-chlorophenyl)-5-cyclohex-3-en-1-ylpyrrolidin-3-ol hydrochloride, 3-Pyrrolidinol, 3-(p-chlorophenyl)-5-(3-cyclohexen-1-yl)-, hydrochloride
| Molecular Formula | C16H21Cl2NO |
|---|---|
| Molecular Weight | 313.10 g/mol |
| LogP | 3.6676 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 313.1 |
| Heavy Atoms | 20 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 5075-95-6 |
|---|---|
| SMILES | C1CC(CC=C1)C2CC(CN2)(C3=CC=C(C=C3)Cl)O.Cl |
| InChIKey | BFMKHFPHRVUHTP-UHFFFAOYSA-N |
Product Overview
C16H20ClNO.ClH (CAS 5075-95-6), with molecular formula C16H21Cl2NO and molecular weight 313.10 g/mol. IUPAC: 3-(4-chlorophenyl)-5-cyclohex-3-en-1-ylpyrrolidin-3-ol;hydrochloride.
Chemical Property Profile of C16H20ClNO.ClH
Property Insights of C16H20ClNO.ClH
The XLogP value of 3.6676 indicates that C16H20ClNO.ClH is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.3 Ų, C16H20ClNO.ClH exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C16H20ClNO.ClH has 3 hydrogen bond donor(s) and 2 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 C16H20ClNO.ClH?
The CAS number of C16H20ClNO.ClH is 5075-95-6.
What is the molecular formula of C16H20ClNO.ClH?
The molecular formula of C16H20ClNO.ClH is C16H21Cl2NO.
What is the molecular weight of C16H20ClNO.ClH?
The molecular weight of C16H20ClNO.ClH is 313.10 g/mol.
Where can I buy C16H20ClNO.ClH?
You can request a quote for C16H20ClNO.ClH directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C16H20ClNO.ClH?
Yes, KEHONG BIO provides custom synthesis services for C16H20ClNO.ClH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.