Falibetan
TL;DR: Falibetan (CAS 50934-69-5) is a chemical compound with molecular formula C33H42ClN5O6 and molecular weight 639.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione;propan-2-yl N-(3-chlorophenyl)carbamate;(propan-2-ylideneamino) N-phenylcarbamate
Also Known As: Falibetan, Carbamic acid, (3-chlorophenyl)-, 1-methylethyl ester, mixt. with 3-cyclohexyl-6,7-dihydro-1H-cyclopentapyrimidine-2,4(3H,5H)-dione and 2-propanone O-((phenylamino)carbonyl)oxime, 1-Methylethyl (3-chlorophenyl)carbamate mixt. with 3-cyclohexyl-6,7-dihydro-1H-cyclopentapyrimidine-2,4(3H,5H)-dione and 2-propanone O-((phenylamino)carbonyl)oxime, 3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione; propan-2-yl N-(3-chlorophenyl)carbamate; (propan-2-ylideneamino) N-phenylcarbamate
| Molecular Formula | C33H42ClN5O6 |
|---|---|
| Molecular Weight | 639.28 g/mol |
| LogP | 7.4583 |
| Topological Polar Surface Area | 143.88 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 639.28235 |
| Heavy Atoms | 45 |
| Complexity | 1557.7423 |
Chemical Identifiers
| CAS Number | 50934-69-5 |
|---|---|
| SMILES | CC(C)OC(=O)NC1=CC(=CC=C1)Cl.CC(=NOC(=O)NC1=CC=CC=C1)C.C1CCC(CC1)N2C(=O)C3=C(CCC3)NC2=O |
Product Overview
Falibetan (CAS 50934-69-5), with molecular formula C33H42ClN5O6 and molecular weight 639.28 g/mol. IUPAC: 3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione;propan-2-yl N-(3-chlorophenyl)carbamate;(propan-2-ylideneamino) N-phenylcarbamate.
Chemical Property Profile of Falibetan
Property Insights of Falibetan
The XLogP value of 7.4583 indicates that Falibetan is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 143.88 Ų indicates high polarity, suggesting Falibetan may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Falibetan has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Falibetan?
The CAS number of Falibetan is 50934-69-5.
What is the molecular formula of Falibetan?
The molecular formula of Falibetan is C33H42ClN5O6.
What is the molecular weight of Falibetan?
The molecular weight of Falibetan is 639.28 g/mol.
Where can I buy Falibetan?
You can request a quote for Falibetan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Falibetan?
Yes, KEHONG BIO provides custom synthesis services for Falibetan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.