AB00668849-01
TL;DR: AB00668849-01 (CAS 536708-48-2) is a chemical compound with molecular formula C28H23N5O3S2 and molecular weight 541.12 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-(6-methyl-1,3-benzothiazol-2-yl)acetamide
Also Known As: AB00668849-01, 2-((3-(4-ethoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)-N-(6-methylbenzo[d]thiazol-2-yl)acetamide, F0580-0601, 2-[[3-(4-ethoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide, 2-{[3-(4-ethoxyphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
| Molecular Formula | C28H23N5O3S2 |
|---|---|
| Molecular Weight | 541.12 g/mol |
| LogP | 5.91462 |
| Topological Polar Surface Area | 101.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 541.1242 |
| Heavy Atoms | 38 |
| Complexity | 1871.859 |
Chemical Identifiers
| CAS Number | 536708-48-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)NC5=NC6=C(S5)C=C(C=C6)C |
Product Overview
AB00668849-01 (CAS 536708-48-2), with molecular formula C28H23N5O3S2 and molecular weight 541.12 g/mol. IUPAC: 2-[[3-(4-ethoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide.
Chemical Property Profile of AB00668849-01
Property Insights of AB00668849-01
The XLogP value of 5.91462 indicates that AB00668849-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.9 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00668849-01. Following Lipinski's Rule of Five, AB00668849-01 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 AB00668849-01?
The CAS number of AB00668849-01 is 536708-48-2.
What is the molecular formula of AB00668849-01?
The molecular formula of AB00668849-01 is C28H23N5O3S2.
What is the molecular weight of AB00668849-01?
The molecular weight of AB00668849-01 is 541.12 g/mol.
Where can I buy AB00668849-01?
You can request a quote for AB00668849-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00668849-01?
Yes, KEHONG BIO provides custom synthesis services for AB00668849-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.