AB00676998-01
TL;DR: AB00676998-01 (CAS 887215-95-4) is a chemical compound with molecular formula C20H17N3O5S and molecular weight 411.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(3,4-dimethoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetic acid
Also Known As: AB00676998-01, F1882-1032, 2-{[3-(3,4-dimethoxyphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetic acid, 2-[[3-(3,4-dimethoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetic acid, 2-((3-(3,4-dimethoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetic acid
| Molecular Formula | C20H17N3O5S |
|---|---|
| Molecular Weight | 411.09 g/mol |
| LogP | 3.0609 |
| Topological Polar Surface Area | 106.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 411.0889 |
| Heavy Atoms | 29 |
| Complexity | 1294.7496 |
Chemical Identifiers
| CAS Number | 887215-95-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)O)OC |
Product Overview
AB00676998-01 (CAS 887215-95-4), with molecular formula C20H17N3O5S and molecular weight 411.09 g/mol. IUPAC: 2-[[3-(3,4-dimethoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetic acid.
Chemical Property Profile of AB00676998-01
Property Insights of AB00676998-01
The XLogP value of 3.0609 indicates that AB00676998-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.44 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00676998-01. Following Lipinski's Rule of Five, AB00676998-01 has 2 hydrogen bond donor(s) and 6 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 AB00676998-01?
The CAS number of AB00676998-01 is 887215-95-4.
What is the molecular formula of AB00676998-01?
The molecular formula of AB00676998-01 is C20H17N3O5S.
What is the molecular weight of AB00676998-01?
The molecular weight of AB00676998-01 is 411.09 g/mol.
Where can I buy AB00676998-01?
You can request a quote for AB00676998-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00676998-01?
Yes, KEHONG BIO provides custom synthesis services for AB00676998-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.