RefChem:1085521
TL;DR: RefChem:1085521 (CAS 3766-00-5) is a chemical compound with molecular formula C20H30N4O3S and molecular weight 406.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[(Z)-5-hydroxy-3-[(E)-6-methyl-3-oxohept-1-enyl]sulfanylpent-2-en-2-yl]formamide
Also Known As: 5-25-12-00142 (Beilstein Handbook Reference), Formamide, N-((4-amino-2-methyl-5-pyrimidinyl)methyl)-N-(4-hydroxy-1-methyl-2-((6-methyl-3-oxo-1-heptenyl)thio)-1-butenyl)-, N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[(Z)-5-hydroxy-3-[(E)-6-methyl-3-oxohept-1-enyl]sulfanylpent-2-en-2-yl]formamide, RefChem:1085521, BRN 0902814
| Molecular Formula | C20H30N4O3S |
|---|---|
| Molecular Weight | 406.20 g/mol |
| LogP | 3.19172 |
| Topological Polar Surface Area | 109.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 406.20386 |
| Heavy Atoms | 28 |
| Complexity | 732.161 |
Chemical Identifiers
| CAS Number | 3766-00-5 |
|---|---|
| SMILES | CC1=NC=C(C(=N1)N)CN(C=O)/C(=C(/CCO)\S/C=C/C(=O)CCC(C)C)/C |
Product Overview
RefChem:1085521 (CAS 3766-00-5), with molecular formula C20H30N4O3S and molecular weight 406.20 g/mol. IUPAC: N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[(Z)-5-hydroxy-3-[(E)-6-methyl-3-oxohept-1-enyl]sulfanylpent-2-en-2-yl]formamide.
Chemical Property Profile of RefChem:1085521
Property Insights of RefChem:1085521
The XLogP value of 3.19172 indicates that RefChem:1085521 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.41 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1085521. Following Lipinski's Rule of Five, RefChem:1085521 has 2 hydrogen bond donor(s) and 7 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 RefChem:1085521?
The CAS number of RefChem:1085521 is 3766-00-5.
What is the molecular formula of RefChem:1085521?
The molecular formula of RefChem:1085521 is C20H30N4O3S.
What is the molecular weight of RefChem:1085521?
The molecular weight of RefChem:1085521 is 406.20 g/mol.
Where can I buy RefChem:1085521?
You can request a quote for RefChem:1085521 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1085521?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1085521 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.