AB00685544-01
TL;DR: AB00685544-01 (CAS 443652-89-9) is a chemical compound with molecular formula C11H13N5O6S2 and molecular weight 375.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,4-dinitroanilino)-3-(1,1-dioxothiolan-3-yl)thiourea
Also Known As: AB00685544-01, F1068-0624, 1-(2,4-dinitroanilino)-3-(1,1-dioxothiolan-3-yl)thiourea, 1-[(2,4-dinitrophenyl)amino]-3-(1,1-dioxo-1lambda6-thiolan-3-yl)thiourea, 2-(2,4-dinitrophenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)hydrazinecarbothioamide
| Molecular Formula | C11H13N5O6S2 |
|---|---|
| Molecular Weight | 375.03 g/mol |
| LogP | 0.4811 |
| Topological Polar Surface Area | 156.51 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 375.03073 |
| Heavy Atoms | 24 |
| Complexity | 796.09406 |
Chemical Identifiers
| CAS Number | 443652-89-9 |
|---|---|
| SMILES | C1CS(=O)(=O)CC1NC(=S)NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
AB00685544-01 (CAS 443652-89-9), with molecular formula C11H13N5O6S2 and molecular weight 375.03 g/mol. IUPAC: 1-(2,4-dinitroanilino)-3-(1,1-dioxothiolan-3-yl)thiourea.
Chemical Property Profile of AB00685544-01
Property Insights of AB00685544-01
The XLogP value of 0.4811 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00685544-01. The TPSA of 156.51 Ų indicates high polarity, suggesting AB00685544-01 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, AB00685544-01 has 3 hydrogen bond donor(s) and 8 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 AB00685544-01?
The CAS number of AB00685544-01 is 443652-89-9.
What is the molecular formula of AB00685544-01?
The molecular formula of AB00685544-01 is C11H13N5O6S2.
What is the molecular weight of AB00685544-01?
The molecular weight of AB00685544-01 is 375.03 g/mol.
Where can I buy AB00685544-01?
You can request a quote for AB00685544-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00685544-01?
Yes, KEHONG BIO provides custom synthesis services for AB00685544-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.