ChemDiv1_008897
TL;DR: ChemDiv1_008897 (CAS 314261-75-1) is a chemical compound with molecular formula C23H23N3O4S2 and molecular weight 469.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
Also Known As: ChemDiv1_008897, AF-399/15031098, N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide, 2-[(3-allyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide, N-(2H-1,3-benzodioxol-5-ylmethyl)-2-{[3-oxo-4-(prop-2-en-1-yl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl]sulfanyl}acetamide
| Molecular Formula | C23H23N3O4S2 |
|---|---|
| Molecular Weight | 469.11 g/mol |
| LogP | 3.66 |
| Topological Polar Surface Area | 82.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 469.113 |
| Heavy Atoms | 32 |
| Complexity | 1264.3405 |
Chemical Identifiers
| CAS Number | 314261-75-1 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(N=C1SCC(=O)NCC3=CC4=C(C=C3)OCO4)SC5=C2CCCC5 |
Product Overview
ChemDiv1_008897 (CAS 314261-75-1), with molecular formula C23H23N3O4S2 and molecular weight 469.11 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide.
Chemical Property Profile of ChemDiv1_008897
Property Insights of ChemDiv1_008897
The XLogP value of 3.66 indicates that ChemDiv1_008897 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.45 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_008897. Following Lipinski's Rule of Five, ChemDiv1_008897 has 1 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 ChemDiv1_008897?
The CAS number of ChemDiv1_008897 is 314261-75-1.
What is the molecular formula of ChemDiv1_008897?
The molecular formula of ChemDiv1_008897 is C23H23N3O4S2.
What is the molecular weight of ChemDiv1_008897?
The molecular weight of ChemDiv1_008897 is 469.11 g/mol.
Where can I buy ChemDiv1_008897?
You can request a quote for ChemDiv1_008897 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008897?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008897 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.