AB00668848-01
TL;DR: AB00668848-01 (CAS 536708-29-9) is a chemical compound with molecular formula C27H24N4O4S and molecular weight 500.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(4-ethoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide
Also Known As: AB00668848-01, F0580-0582, 2-((3-(4-ethoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)-N-(4-methoxyphenyl)acetamide, 2-{[3-(4-ethoxyphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide, 2-[[3-(4-ethoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide
| Molecular Formula | C27H24N4O4S |
|---|---|
| Molecular Weight | 500.15 g/mol |
| LogP | 5.0051 |
| Topological Polar Surface Area | 98.24 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 500.15182 |
| Heavy Atoms | 36 |
| Complexity | 1591.2943 |
Chemical Identifiers
| CAS Number | 536708-29-9 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)NC5=CC=C(C=C5)OC |
Product Overview
AB00668848-01 (CAS 536708-29-9), with molecular formula C27H24N4O4S and molecular weight 500.15 g/mol. IUPAC: 2-[[3-(4-ethoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide.
Chemical Property Profile of AB00668848-01
Property Insights of AB00668848-01
The XLogP value of 5.0051 indicates that AB00668848-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.24 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00668848-01. Following Lipinski's Rule of Five, AB00668848-01 has 2 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 AB00668848-01?
The CAS number of AB00668848-01 is 536708-29-9.
What is the molecular formula of AB00668848-01?
The molecular formula of AB00668848-01 is C27H24N4O4S.
What is the molecular weight of AB00668848-01?
The molecular weight of AB00668848-01 is 500.15 g/mol.
Where can I buy AB00668848-01?
You can request a quote for AB00668848-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00668848-01?
Yes, KEHONG BIO provides custom synthesis services for AB00668848-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.