AB00668865-01
TL;DR: AB00668865-01 (CAS 536713-18-5) is a chemical compound with molecular formula C29H25ClN4O4S2 and molecular weight 592.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-[[3-(3-chlorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: AB00668865-01, F0580-0792, ethyl 2-(2-((3-(3-chlorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-(2-{[3-(3-chlorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-[[2-[[3-(3-chlorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C29H25ClN4O4S2 |
|---|---|
| Molecular Weight | 592.10 g/mol |
| LogP | 6.3682 |
| Topological Polar Surface Area | 106.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 592.1006 |
| Heavy Atoms | 40 |
| Complexity | 1841.467 |
Chemical Identifiers
| CAS Number | 536713-18-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NC4=C(C(=O)N3C5=CC(=CC=C5)Cl)NC6=CC=CC=C64 |
Product Overview
AB00668865-01 (CAS 536713-18-5), with molecular formula C29H25ClN4O4S2 and molecular weight 592.10 g/mol. IUPAC: ethyl 2-[[2-[[3-(3-chlorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of AB00668865-01
Property Insights of AB00668865-01
The XLogP value of 6.3682 indicates that AB00668865-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.08 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00668865-01. Following Lipinski's Rule of Five, AB00668865-01 has 2 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 AB00668865-01?
The CAS number of AB00668865-01 is 536713-18-5.
What is the molecular formula of AB00668865-01?
The molecular formula of AB00668865-01 is C29H25ClN4O4S2.
What is the molecular weight of AB00668865-01?
The molecular weight of AB00668865-01 is 592.10 g/mol.
Where can I buy AB00668865-01?
You can request a quote for AB00668865-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00668865-01?
Yes, KEHONG BIO provides custom synthesis services for AB00668865-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.