ChemDiv3_016053
TL;DR: ChemDiv3_016053 (CAS 902857-65-2) is a chemical compound with molecular formula C24H27N5O4S and molecular weight 481.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxopteridin-2-yl]sulfanyl-N-cyclohexylbutanamide
Also Known As: ChemDiv3_016053, 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxopteridin-2-yl]sulfanyl-N-cyclohexylbutanamide, 2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4-dihydropteridin-2-yl}sulfanyl)-N-cyclohexylbutanamide, 2-{[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-3,4-dihydropteridin-2-yl]thio}-N-cyclohexylbutanamide
| Molecular Formula | C24H27N5O4S |
|---|---|
| Molecular Weight | 481.18 g/mol |
| LogP | 3.2831 |
| Topological Polar Surface Area | 108.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 481.17838 |
| Heavy Atoms | 34 |
| Complexity | 1257.8322 |
Chemical Identifiers
| CAS Number | 902857-65-2 |
|---|---|
| SMILES | CCC(C(=O)NC1CCCCC1)SC2=NC3=NC=CN=C3C(=O)N2CC4=CC5=C(C=C4)OCO5 |
Product Overview
ChemDiv3_016053 (CAS 902857-65-2), with molecular formula C24H27N5O4S and molecular weight 481.18 g/mol. IUPAC: 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxopteridin-2-yl]sulfanyl-N-cyclohexylbutanamide.
Chemical Property Profile of ChemDiv3_016053
Property Insights of ChemDiv3_016053
The XLogP value of 3.2831 indicates that ChemDiv3_016053 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.23 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_016053. Following Lipinski's Rule of Five, ChemDiv3_016053 has 1 hydrogen bond donor(s) and 8 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 ChemDiv3_016053?
The CAS number of ChemDiv3_016053 is 902857-65-2.
What is the molecular formula of ChemDiv3_016053?
The molecular formula of ChemDiv3_016053 is C24H27N5O4S.
What is the molecular weight of ChemDiv3_016053?
The molecular weight of ChemDiv3_016053 is 481.18 g/mol.
Where can I buy ChemDiv3_016053?
You can request a quote for ChemDiv3_016053 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_016053?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_016053 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.