ChemDiv2_004815
TL;DR: ChemDiv2_004815 (CAS 372506-01-9) is a chemical compound with molecular formula C18H23N3O4S2 and molecular weight 409.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-(2-ethoxy-2-oxoethyl)sulfanyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl]sulfanyl]acetate
Also Known As: ChemDiv2_004815, IDI1_003530, diethyl 2,2'-((6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole-2,4-diyl)bis(sulfanediyl))diacetate, diethyl 2,2'-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole-2,4-diyldisulfanediyl)diacetate, ETHYL 2-({4-[(2-ETHOXY-2-OXOETHYL)SULFANYL]-5H,6H,7H,8H,9H-PYRIMIDO[4,5-B]INDOL-2-YL}SULFANYL)ACETATE
| Molecular Formula | C18H23N3O4S2 |
|---|---|
| Molecular Weight | 409.11 g/mol |
| LogP | 3.1471 |
| Topological Polar Surface Area | 94.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 409.113 |
| Heavy Atoms | 27 |
| Complexity | 837.6113 |
Chemical Identifiers
| CAS Number | 372506-01-9 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC(=NC2=C1C3=C(N2)CCCC3)SCC(=O)OCC |
Product Overview
ChemDiv2_004815 (CAS 372506-01-9), with molecular formula C18H23N3O4S2 and molecular weight 409.11 g/mol. IUPAC: ethyl 2-[[2-(2-ethoxy-2-oxoethyl)sulfanyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl]sulfanyl]acetate.
Chemical Property Profile of ChemDiv2_004815
Property Insights of ChemDiv2_004815
The XLogP value of 3.1471 indicates that ChemDiv2_004815 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.17 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_004815. Following Lipinski's Rule of Five, ChemDiv2_004815 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 ChemDiv2_004815?
The CAS number of ChemDiv2_004815 is 372506-01-9.
What is the molecular formula of ChemDiv2_004815?
The molecular formula of ChemDiv2_004815 is C18H23N3O4S2.
What is the molecular weight of ChemDiv2_004815?
The molecular weight of ChemDiv2_004815 is 409.11 g/mol.
Where can I buy ChemDiv2_004815?
You can request a quote for ChemDiv2_004815 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_004815?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_004815 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.