RefChem:1085520
TL;DR: RefChem:1085520 (CAS 3671-84-9) is a chemical compound with molecular formula C18H26N4O3S and molecular weight 378.17 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)-4-methyl-3-oxopent-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-((4-methyl-3-oxo-1-pentenyl)thio)-1-butenyl)-, N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[(Z)-5-hydroxy-3-[(E)-4-methyl-3-oxopent-1-enyl]sulfanylpent-2-en-2-yl]formamide, RefChem:1085520, BRN 0901877
| Molecular Formula | C18H26N4O3S |
|---|---|
| Molecular Weight | 378.17 g/mol |
| LogP | 2.41152 |
| Topological Polar Surface Area | 109.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 378.17258 |
| Heavy Atoms | 26 |
| Complexity | 701.67664 |
Chemical Identifiers
| CAS Number | 3671-84-9 |
|---|---|
| SMILES | CC1=NC=C(C(=N1)N)CN(C=O)/C(=C(/CCO)\S/C=C/C(=O)C(C)C)/C |
Product Overview
RefChem:1085520 (CAS 3671-84-9), with molecular formula C18H26N4O3S and molecular weight 378.17 g/mol. IUPAC: N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[(Z)-5-hydroxy-3-[(E)-4-methyl-3-oxopent-1-enyl]sulfanylpent-2-en-2-yl]formamide.
Chemical Property Profile of RefChem:1085520
Property Insights of RefChem:1085520
The XLogP value of 2.41152 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1085520. The TPSA of 109.41 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1085520. Following Lipinski's Rule of Five, RefChem:1085520 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:1085520?
The CAS number of RefChem:1085520 is 3671-84-9.
What is the molecular formula of RefChem:1085520?
The molecular formula of RefChem:1085520 is C18H26N4O3S.
What is the molecular weight of RefChem:1085520?
The molecular weight of RefChem:1085520 is 378.17 g/mol.
Where can I buy RefChem:1085520?
You can request a quote for RefChem:1085520 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1085520?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1085520 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.