AB00677007-01
TL;DR: AB00677007-01 (CAS 887217-07-4) is a chemical compound with molecular formula C19H19N5O4S and molecular weight 413.12 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-(5-methyl-1,2-oxazol-3-yl)acetamide
Also Known As: AB00677007-01, F1882-1448, 2-((3-(2-methoxyethyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide, 2-[[3-(2-methoxyethyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide, 2-{[3-(2-methoxyethyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide
| Molecular Formula | C19H19N5O4S |
|---|---|
| Molecular Weight | 413.12 g/mol |
| LogP | 2.55142 |
| Topological Polar Surface Area | 115.04 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 413.11578 |
| Heavy Atoms | 29 |
| Complexity | 1242.5872 |
Chemical Identifiers
| CAS Number | 887217-07-4 |
|---|---|
| SMILES | CC1=CC(=NO1)NC(=O)CSC2=NC3=C(C(=O)N2CCOC)NC4=CC=CC=C43 |
Product Overview
AB00677007-01 (CAS 887217-07-4), with molecular formula C19H19N5O4S and molecular weight 413.12 g/mol. IUPAC: 2-[[3-(2-methoxyethyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
Chemical Property Profile of AB00677007-01
Property Insights of AB00677007-01
The XLogP value of 2.55142 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00677007-01. The TPSA of 115.04 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00677007-01. Following Lipinski's Rule of Five, AB00677007-01 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 AB00677007-01?
The CAS number of AB00677007-01 is 887217-07-4.
What is the molecular formula of AB00677007-01?
The molecular formula of AB00677007-01 is C19H19N5O4S.
What is the molecular weight of AB00677007-01?
The molecular weight of AB00677007-01 is 413.12 g/mol.
Where can I buy AB00677007-01?
You can request a quote for AB00677007-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00677007-01?
Yes, KEHONG BIO provides custom synthesis services for AB00677007-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.