ChemDiv2_005859
TL;DR: ChemDiv2_005859 (CAS 536706-61-3) is a chemical compound with molecular formula C22H17N5O3S2 and molecular weight 463.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(3-methoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
Also Known As: ChemDiv2_005859, IDI1_004574, AB00668833-01, F0580-0414, 2-((3-(3-methoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)-N-(thiazol-2-yl)acetamide
| Molecular Formula | C22H17N5O3S2 |
|---|---|
| Molecular Weight | 463.08 g/mol |
| LogP | 4.0629 |
| Topological Polar Surface Area | 101.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 463.07727 |
| Heavy Atoms | 32 |
| Complexity | 1491.0677 |
Chemical Identifiers
| CAS Number | 536706-61-3 |
|---|---|
| SMILES | COC1=CC=CC(=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)NC5=NC=CS5 |
Product Overview
ChemDiv2_005859 (CAS 536706-61-3), with molecular formula C22H17N5O3S2 and molecular weight 463.08 g/mol. IUPAC: 2-[[3-(3-methoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.
Chemical Property Profile of ChemDiv2_005859
Property Insights of ChemDiv2_005859
The XLogP value of 4.0629 indicates that ChemDiv2_005859 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.9 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_005859. Following Lipinski's Rule of Five, ChemDiv2_005859 has 2 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 ChemDiv2_005859?
The CAS number of ChemDiv2_005859 is 536706-61-3.
What is the molecular formula of ChemDiv2_005859?
The molecular formula of ChemDiv2_005859 is C22H17N5O3S2.
What is the molecular weight of ChemDiv2_005859?
The molecular weight of ChemDiv2_005859 is 463.08 g/mol.
Where can I buy ChemDiv2_005859?
You can request a quote for ChemDiv2_005859 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_005859?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_005859 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.