4-Benzylamino-1-methylcytosine
TL;DR: 4-Benzylamino-1-methylcytosine (CAS 136308-30-0) is a chemical compound with molecular formula C12H13N3O and molecular weight 215.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(benzylamino)-1-methylpyrimidin-2-one
Also Known As: 4-N-benzyl-1-methylcytosine, 4-Benzylamino-1-methylcytosine, 4-(benzylamino)-1-methylpyrimidin-2-one, 4-(benzylamino)-1-methylpyrimidin-2(1h)-one, 4-(Benzylamino)-1-methyl-2(1H)-pyrimidinone #
| Molecular Formula | C12H13N3O |
|---|---|
| Molecular Weight | 215.11 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 44.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 215.10587 |
| Heavy Atoms | 16 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 136308-30-0 |
|---|---|
| SMILES | CN1C=CC(=NC1=O)NCC2=CC=CC=C2 |
| InChIKey | ORTKGSASOCBQGB-UHFFFAOYSA-N |
Product Overview
4-Benzylamino-1-methylcytosine (CAS 136308-30-0), with molecular formula C12H13N3O and molecular weight 215.11 g/mol. IUPAC: 4-(benzylamino)-1-methylpyrimidin-2-one.
Chemical Property Profile of 4-Benzylamino-1-methylcytosine
Property Insights of 4-Benzylamino-1-methylcytosine
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Benzylamino-1-methylcytosine. With a topological polar surface area (TPSA) of 44.7 Ų, 4-Benzylamino-1-methylcytosine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Benzylamino-1-methylcytosine has 1 hydrogen bond donor(s) and 1 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 4-Benzylamino-1-methylcytosine?
The CAS number of 4-Benzylamino-1-methylcytosine is 136308-30-0.
What is the molecular formula of 4-Benzylamino-1-methylcytosine?
The molecular formula of 4-Benzylamino-1-methylcytosine is C12H13N3O.
What is the molecular weight of 4-Benzylamino-1-methylcytosine?
The molecular weight of 4-Benzylamino-1-methylcytosine is 215.11 g/mol.
Where can I buy 4-Benzylamino-1-methylcytosine?
You can request a quote for 4-Benzylamino-1-methylcytosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Benzylamino-1-methylcytosine?
Yes, KEHONG BIO provides custom synthesis services for 4-Benzylamino-1-methylcytosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.