ChemDiv1_008758
TL;DR: ChemDiv1_008758 (CAS 315693-67-5) is a chemical compound with molecular formula C26H23N3O5S2 and molecular weight 521.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(4-methoxyphenyl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide
Also Known As: ChemDiv1_008758, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(4-methoxyphenyl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide, AF-399/15128568, F0863-0473, 2-((3-allyl-5-(4-methoxyphenyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide
| Molecular Formula | C26H23N3O5S2 |
|---|---|
| Molecular Weight | 521.11 g/mol |
| LogP | 4.8216 |
| Topological Polar Surface Area | 91.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 521.1079 |
| Heavy Atoms | 36 |
| Complexity | 1494.2347 |
Chemical Identifiers
| CAS Number | 315693-67-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC(=O)NC4=CC5=C(C=C4)OCCO5)CC=C |
Product Overview
ChemDiv1_008758 (CAS 315693-67-5), with molecular formula C26H23N3O5S2 and molecular weight 521.11 g/mol. IUPAC: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(4-methoxyphenyl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide.
Chemical Property Profile of ChemDiv1_008758
Property Insights of ChemDiv1_008758
The XLogP value of 4.8216 indicates that ChemDiv1_008758 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.68 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_008758. Following Lipinski's Rule of Five, ChemDiv1_008758 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_008758?
The CAS number of ChemDiv1_008758 is 315693-67-5.
What is the molecular formula of ChemDiv1_008758?
The molecular formula of ChemDiv1_008758 is C26H23N3O5S2.
What is the molecular weight of ChemDiv1_008758?
The molecular weight of ChemDiv1_008758 is 521.11 g/mol.
Where can I buy ChemDiv1_008758?
You can request a quote for ChemDiv1_008758 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008758?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008758 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.