AB00668830-01
TL;DR: AB00668830-01 (CAS 536706-37-3) is a chemical compound with molecular formula C23H20N6O3S3 and molecular weight 524.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[[3-(3-methoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide
Also Known As: AB00668830-01, F0580-0390, N-(5-(ethylthio)-1,3,4-thiadiazol-2-yl)-2-((3-(3-methoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetamide, N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-{[3-(3-methoxyphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide, N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[[3-(3-methoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide
| Molecular Formula | C23H20N6O3S3 |
|---|---|
| Molecular Weight | 524.08 g/mol |
| LogP | 4.5699 |
| Topological Polar Surface Area | 114.79 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 524.0759 |
| Heavy Atoms | 35 |
| Complexity | 1592.785 |
Chemical Identifiers
| CAS Number | 536706-37-3 |
|---|---|
| SMILES | CCSC1=NN=C(S1)NC(=O)CSC2=NC3=C(C(=O)N2C4=CC(=CC=C4)OC)NC5=CC=CC=C53 |
Product Overview
AB00668830-01 (CAS 536706-37-3), with molecular formula C23H20N6O3S3 and molecular weight 524.08 g/mol. IUPAC: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[[3-(3-methoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide.
Chemical Property Profile of AB00668830-01
Property Insights of AB00668830-01
The XLogP value of 4.5699 indicates that AB00668830-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.79 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00668830-01. Following Lipinski's Rule of Five, AB00668830-01 has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00668830-01?
The CAS number of AB00668830-01 is 536706-37-3.
What is the molecular formula of AB00668830-01?
The molecular formula of AB00668830-01 is C23H20N6O3S3.
What is the molecular weight of AB00668830-01?
The molecular weight of AB00668830-01 is 524.08 g/mol.
Where can I buy AB00668830-01?
You can request a quote for AB00668830-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00668830-01?
Yes, KEHONG BIO provides custom synthesis services for AB00668830-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.