AB00668847-01
TL;DR: AB00668847-01 (CAS 536708-20-0) is a chemical compound with molecular formula C27H29N5O5S and molecular weight 535.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[2-[[3-(4-ethoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetyl]piperazine-1-carboxylate
Also Known As: AB00668847-01, F0580-0573, ethyl 4-(2-{[3-(4-ethoxyphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetyl)piperazine-1-carboxylate, ethyl 4-(2-((3-(4-ethoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetyl)piperazine-1-carboxylate, ethyl 4-[2-[[3-(4-ethoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetyl]piperazine-1-carboxylate
| Molecular Formula | C27H29N5O5S |
|---|---|
| Molecular Weight | 535.19 g/mol |
| LogP | 3.6585 |
| Topological Polar Surface Area | 109.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 535.18896 |
| Heavy Atoms | 38 |
| Complexity | 1522.939 |
Chemical Identifiers
| CAS Number | 536708-20-0 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)N5CCN(CC5)C(=O)OCC |
Product Overview
AB00668847-01 (CAS 536708-20-0), with molecular formula C27H29N5O5S and molecular weight 535.19 g/mol. IUPAC: ethyl 4-[2-[[3-(4-ethoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetyl]piperazine-1-carboxylate.
Chemical Property Profile of AB00668847-01
Property Insights of AB00668847-01
The XLogP value of 3.6585 indicates that AB00668847-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.76 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00668847-01. Following Lipinski's Rule of Five, AB00668847-01 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00668847-01?
The CAS number of AB00668847-01 is 536708-20-0.
What is the molecular formula of AB00668847-01?
The molecular formula of AB00668847-01 is C27H29N5O5S.
What is the molecular weight of AB00668847-01?
The molecular weight of AB00668847-01 is 535.19 g/mol.
Where can I buy AB00668847-01?
You can request a quote for AB00668847-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00668847-01?
Yes, KEHONG BIO provides custom synthesis services for AB00668847-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.