AB00677005-01
TL;DR: AB00677005-01 (CAS 888439-75-6) is a chemical compound with molecular formula C18H17N5O3S2 and molecular weight 415.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(2-methoxyethyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
Also Known As: AB00677005-01, F1882-1443, 2-{[3-(2-methoxyethyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide, 2-((3-(2-methoxyethyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)-N-(thiazol-2-yl)acetamide, 2-[[3-(2-methoxyethyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
| Molecular Formula | C18H17N5O3S2 |
|---|---|
| Molecular Weight | 415.08 g/mol |
| LogP | 2.7115 |
| Topological Polar Surface Area | 101.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 415.07727 |
| Heavy Atoms | 28 |
| Complexity | 1183.3431 |
Chemical Identifiers
| CAS Number | 888439-75-6 |
|---|---|
| SMILES | COCCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)NC4=NC=CS4 |
Product Overview
AB00677005-01 (CAS 888439-75-6), with molecular formula C18H17N5O3S2 and molecular weight 415.08 g/mol. IUPAC: 2-[[3-(2-methoxyethyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.
Chemical Property Profile of AB00677005-01
Property Insights of AB00677005-01
The XLogP value of 2.7115 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00677005-01. The TPSA of 101.9 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00677005-01. Following Lipinski's Rule of Five, AB00677005-01 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 AB00677005-01?
The CAS number of AB00677005-01 is 888439-75-6.
What is the molecular formula of AB00677005-01?
The molecular formula of AB00677005-01 is C18H17N5O3S2.
What is the molecular weight of AB00677005-01?
The molecular weight of AB00677005-01 is 415.08 g/mol.
Where can I buy AB00677005-01?
You can request a quote for AB00677005-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00677005-01?
Yes, KEHONG BIO provides custom synthesis services for AB00677005-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.