AB00668855-01
TL;DR: AB00668855-01 (CAS 536710-48-2) is a chemical compound with molecular formula C27H23N3O4S and molecular weight 485.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-[[3-(4-ethoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetate
Also Known As: AB00668855-01, F0580-0644, benzyl 2-{[3-(4-ethoxyphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetate, benzyl 2-((3-(4-ethoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetate, benzyl 2-[[3-(4-ethoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetate
| Molecular Formula | C27H23N3O4S |
|---|---|
| Molecular Weight | 485.14 g/mol |
| LogP | 5.1012 |
| Topological Polar Surface Area | 86.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 485.14093 |
| Heavy Atoms | 35 |
| Complexity | 1542.6136 |
Chemical Identifiers
| CAS Number | 536710-48-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)OCC5=CC=CC=C5 |
Product Overview
AB00668855-01 (CAS 536710-48-2), with molecular formula C27H23N3O4S and molecular weight 485.14 g/mol. IUPAC: benzyl 2-[[3-(4-ethoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetate.
Chemical Property Profile of AB00668855-01
Property Insights of AB00668855-01
The XLogP value of 5.1012 indicates that AB00668855-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.21 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00668855-01. Following Lipinski's Rule of Five, AB00668855-01 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00668855-01?
The CAS number of AB00668855-01 is 536710-48-2.
What is the molecular formula of AB00668855-01?
The molecular formula of AB00668855-01 is C27H23N3O4S.
What is the molecular weight of AB00668855-01?
The molecular weight of AB00668855-01 is 485.14 g/mol.
Where can I buy AB00668855-01?
You can request a quote for AB00668855-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00668855-01?
Yes, KEHONG BIO provides custom synthesis services for AB00668855-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.