AB00733056-01
TL;DR: AB00733056-01 (CAS 852901-25-8) is a chemical compound with molecular formula C18H21N7O3S2 and molecular weight 447.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylacetamide
Also Known As: AB00733056-01, N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylacetamide, N-(6-Amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylacetamide
| Molecular Formula | C18H21N7O3S2 |
|---|---|
| Molecular Weight | 447.11 g/mol |
| LogP | 1.1361 |
| Topological Polar Surface Area | 152.99 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 447.11472 |
| Heavy Atoms | 30 |
| Complexity | 1140.672 |
Chemical Identifiers
| CAS Number | 852901-25-8 |
|---|---|
| SMILES | CCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CSC3=NN=C(S3)N |
Product Overview
AB00733056-01 (CAS 852901-25-8), with molecular formula C18H21N7O3S2 and molecular weight 447.11 g/mol. IUPAC: N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylacetamide.
Chemical Property Profile of AB00733056-01
Property Insights of AB00733056-01
The XLogP value of 1.1361 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00733056-01. The TPSA of 152.99 Ų indicates high polarity, suggesting AB00733056-01 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, AB00733056-01 has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00733056-01?
The CAS number of AB00733056-01 is 852901-25-8.
What is the molecular formula of AB00733056-01?
The molecular formula of AB00733056-01 is C18H21N7O3S2.
What is the molecular weight of AB00733056-01?
The molecular weight of AB00733056-01 is 447.11 g/mol.
Where can I buy AB00733056-01?
You can request a quote for AB00733056-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00733056-01?
Yes, KEHONG BIO provides custom synthesis services for AB00733056-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.