AB00668873-01
TL;DR: AB00668873-01 (CAS 536715-55-6) is a chemical compound with molecular formula C25H18Cl2N4O3S and molecular weight 524.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-chloro-2-methoxyphenyl)-2-[[3-(4-chlorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide
Also Known As: AB00668873-01, F0580-0932, N-(5-chloro-2-methoxyphenyl)-2-((3-(4-chlorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetamide, N-(5-chloro-2-methoxyphenyl)-2-{[3-(4-chlorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide, N-(5-chloro-2-methoxyphenyl)-2-[[3-(4-chlorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide
| Molecular Formula | C25H18Cl2N4O3S |
|---|---|
| Molecular Weight | 524.05 g/mol |
| LogP | 5.9132 |
| Topological Polar Surface Area | 89.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 524.04767 |
| Heavy Atoms | 35 |
| Complexity | 1630.4716 |
Chemical Identifiers
| CAS Number | 536715-55-6 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Cl)NC(=O)CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)Cl)NC5=CC=CC=C53 |
Product Overview
AB00668873-01 (CAS 536715-55-6), with molecular formula C25H18Cl2N4O3S and molecular weight 524.05 g/mol. IUPAC: N-(5-chloro-2-methoxyphenyl)-2-[[3-(4-chlorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide.
Chemical Property Profile of AB00668873-01
Property Insights of AB00668873-01
The XLogP value of 5.9132 indicates that AB00668873-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.01 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00668873-01. Following Lipinski's Rule of Five, AB00668873-01 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00668873-01?
The CAS number of AB00668873-01 is 536715-55-6.
What is the molecular formula of AB00668873-01?
The molecular formula of AB00668873-01 is C25H18Cl2N4O3S.
What is the molecular weight of AB00668873-01?
The molecular weight of AB00668873-01 is 524.05 g/mol.
Where can I buy AB00668873-01?
You can request a quote for AB00668873-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00668873-01?
Yes, KEHONG BIO provides custom synthesis services for AB00668873-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.