ChemDiv1_004927
TL;DR: ChemDiv1_004927 (CAS 325476-29-7) is a chemical compound with molecular formula C16H21N3O4S2 and molecular weight 383.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-bis(2-hydroxyethyl)-2-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
Also Known As: ChemDiv1_004927, AF-399/37305015, F0464-0015, N,N-bis(2-hydroxyethyl)-2-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide, N,N-bis(2-hydroxyethyl)-2-((4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide
| Molecular Formula | C16H21N3O4S2 |
|---|---|
| Molecular Weight | 383.10 g/mol |
| LogP | 0.7687 |
| Topological Polar Surface Area | 106.52 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 383.09735 |
| Heavy Atoms | 25 |
| Complexity | 811.5481 |
Chemical Identifiers
| CAS Number | 325476-29-7 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)SCC(=O)N(CCO)CCO |
Product Overview
ChemDiv1_004927 (CAS 325476-29-7), with molecular formula C16H21N3O4S2 and molecular weight 383.10 g/mol. IUPAC: N,N-bis(2-hydroxyethyl)-2-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide.
Chemical Property Profile of ChemDiv1_004927
Property Insights of ChemDiv1_004927
The XLogP value of 0.7687 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_004927. The TPSA of 106.52 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_004927. Following Lipinski's Rule of Five, ChemDiv1_004927 has 3 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_004927?
The CAS number of ChemDiv1_004927 is 325476-29-7.
What is the molecular formula of ChemDiv1_004927?
The molecular formula of ChemDiv1_004927 is C16H21N3O4S2.
What is the molecular weight of ChemDiv1_004927?
The molecular weight of ChemDiv1_004927 is 383.10 g/mol.
Where can I buy ChemDiv1_004927?
You can request a quote for ChemDiv1_004927 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004927?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004927 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.