2(1H)-Pyrimidinone,4,6-dimethyl-1-(phenylmethoxy)
TL;DR: 2(1H)-Pyrimidinone,4,6-dimethyl-1-(phenylmethoxy) (CAS 13545-47-6) is a chemical compound with molecular formula C41H48N2O3S and molecular weight 648.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-cyclohexylcyclohexanamine;2-[(2-hydroxyphenyl)methylideneamino]-3-tritylsulfanylpropanoic acid
Also Known As: 2(1H)-Pyrimidinone,4,6-dimethyl-1-(phenylmethoxy), Alanine, compd. with dicyclohexylamine (1:1), L-, Alanine, N-salicylidene-3-(tritylthio)-, compd. with dicyclohexylamine (1:1), L-, N-[(Z)-(6-Oxocyclohexa-2,4-dien-1-ylidene)methyl]-S-(triphenylmethyl)cysteine--N-cyclohexylcyclohexanamine (1/1), N-cyclohexylcyclohexanamine,2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]-3-tritylsulfanylpropanoic acid
| Molecular Formula | C41H48N2O3S |
|---|---|
| Molecular Weight | 648.34 g/mol |
| LogP | 9.231 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 648.33856 |
| Heavy Atoms | 47 |
| Complexity | 720.0 |
Chemical Identifiers
| CAS Number | 13545-47-6 |
|---|---|
| SMILES | C1CCC(CC1)NC2CCCCC2.C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCC(C(=O)O)N=CC4=CC=CC=C4O |
| InChIKey | YVKFMFHURNVOMZ-UHFFFAOYSA-N |
Product Overview
2(1H)-Pyrimidinone,4,6-dimethyl-1-(phenylmethoxy) (CAS 13545-47-6), with molecular formula C41H48N2O3S and molecular weight 648.34 g/mol. IUPAC: N-cyclohexylcyclohexanamine;2-[(2-hydroxyphenyl)methylideneamino]-3-tritylsulfanylpropanoic acid.
Chemical Property Profile of 2(1H)-Pyrimidinone,4,6-dimethyl-1-(phenylmethoxy)
Property Insights of 2(1H)-Pyrimidinone,4,6-dimethyl-1-(phenylmethoxy)
The XLogP value of 9.231 indicates that 2(1H)-Pyrimidinone,4,6-dimethyl-1-(phenylmethoxy) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2(1H)-Pyrimidinone,4,6-dimethyl-1-(phenylmethoxy). Following Lipinski's Rule of Five, 2(1H)-Pyrimidinone,4,6-dimethyl-1-(phenylmethoxy) has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2(1H)-Pyrimidinone,4,6-dimethyl-1-(phenylmethoxy)?
The CAS number of 2(1H)-Pyrimidinone,4,6-dimethyl-1-(phenylmethoxy) is 13545-47-6.
What is the molecular formula of 2(1H)-Pyrimidinone,4,6-dimethyl-1-(phenylmethoxy)?
The molecular formula of 2(1H)-Pyrimidinone,4,6-dimethyl-1-(phenylmethoxy) is C41H48N2O3S.
What is the molecular weight of 2(1H)-Pyrimidinone,4,6-dimethyl-1-(phenylmethoxy)?
The molecular weight of 2(1H)-Pyrimidinone,4,6-dimethyl-1-(phenylmethoxy) is 648.34 g/mol.
Where can I buy 2(1H)-Pyrimidinone,4,6-dimethyl-1-(phenylmethoxy)?
You can request a quote for 2(1H)-Pyrimidinone,4,6-dimethyl-1-(phenylmethoxy) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2(1H)-Pyrimidinone,4,6-dimethyl-1-(phenylmethoxy)?
Yes, KEHONG BIO provides custom synthesis services for 2(1H)-Pyrimidinone,4,6-dimethyl-1-(phenylmethoxy) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.