1-(1,3-benzodioxol-5-ylmethylideneamino)-3-(1H-indazol-6-yl)thiourea
TL;DR: 1-(1,3-benzodioxol-5-ylmethylideneamino)-3-(1H-indazol-6-yl)thiourea (CAS 22508-97-0) is a chemical compound with molecular formula C16H13N5O2S and molecular weight 339.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-ylmethylideneamino)-3-(1H-indazol-6-yl)thiourea
Also Known As: 1-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-3-(1H-indazol-6, 1-(1,3-benzodioxol-5-ylmethylideneamino)-3-(1H-indazol-6-yl)thiourea
| Molecular Formula | C16H13N5O2S |
|---|---|
| Molecular Weight | 339.08 g/mol |
| LogP | 2.6121 |
| Topological Polar Surface Area | 83.56 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 339.079 |
| Heavy Atoms | 24 |
| Complexity | 937.1174 |
Chemical Identifiers
| CAS Number | 22508-97-0 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C=NNC(=S)NC3=CC4=C(C=C3)C=NN4 |
Product Overview
1-(1,3-benzodioxol-5-ylmethylideneamino)-3-(1H-indazol-6-yl)thiourea (CAS 22508-97-0), with molecular formula C16H13N5O2S and molecular weight 339.08 g/mol. IUPAC: 1-(1,3-benzodioxol-5-ylmethylideneamino)-3-(1H-indazol-6-yl)thiourea.
Chemical Property Profile of 1-(1,3-benzodioxol-5-ylmethylideneamino)-3-(1H-indazol-6-yl)thiourea
Property Insights of 1-(1,3-benzodioxol-5-ylmethylideneamino)-3-(1H-indazol-6-yl)thiourea
The XLogP value of 2.6121 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,3-benzodioxol-5-ylmethylideneamino)-3-(1H-indazol-6-yl)thiourea. The TPSA of 83.56 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1,3-benzodioxol-5-ylmethylideneamino)-3-(1H-indazol-6-yl)thiourea. Following Lipinski's Rule of Five, 1-(1,3-benzodioxol-5-ylmethylideneamino)-3-(1H-indazol-6-yl)thiourea has 3 hydrogen bond donor(s) and 5 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 1-(1,3-benzodioxol-5-ylmethylideneamino)-3-(1H-indazol-6-yl)thiourea?
The CAS number of 1-(1,3-benzodioxol-5-ylmethylideneamino)-3-(1H-indazol-6-yl)thiourea is 22508-97-0.
What is the molecular formula of 1-(1,3-benzodioxol-5-ylmethylideneamino)-3-(1H-indazol-6-yl)thiourea?
The molecular formula of 1-(1,3-benzodioxol-5-ylmethylideneamino)-3-(1H-indazol-6-yl)thiourea is C16H13N5O2S.
What is the molecular weight of 1-(1,3-benzodioxol-5-ylmethylideneamino)-3-(1H-indazol-6-yl)thiourea?
The molecular weight of 1-(1,3-benzodioxol-5-ylmethylideneamino)-3-(1H-indazol-6-yl)thiourea is 339.08 g/mol.
Where can I buy 1-(1,3-benzodioxol-5-ylmethylideneamino)-3-(1H-indazol-6-yl)thiourea?
You can request a quote for 1-(1,3-benzodioxol-5-ylmethylideneamino)-3-(1H-indazol-6-yl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,3-benzodioxol-5-ylmethylideneamino)-3-(1H-indazol-6-yl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-benzodioxol-5-ylmethylideneamino)-3-(1H-indazol-6-yl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.