1-(2-(2,2-DIMETHYL(3-OXAINDAN-4-YLOXY))ACETYL)-4-(4-METHOXYPHENYL)THIOSEMICARBAZIDE
TL;DR: 1-(2-(2,2-DIMETHYL(3-OXAINDAN-4-YLOXY))ACETYL)-4-(4-METHOXYPHENYL)THIOSEMICARBAZIDE (CAS 497060-36-3) is a chemical compound with molecular formula C20H23N3O4S and molecular weight 401.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-3-(4-methoxyphenyl)thiourea
Also Known As: 1-(2-(2,2-DIMETHYL(3-OXAINDAN-4-YLOXY))ACETYL)-4-(4-METHOXYPHENYL)THIOSEMICARBAZIDE, AO-990/15068073, 2-[(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)oxy]-N-{[(4-methoxyphenyl)carbamothioyl]amino}acetamide, 1-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-3-(4-methoxyphenyl)thiourea, 2-{[(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)oxy]acetyl}-N-(4-methoxyphenyl)hydrazinecarbothioamide
| Molecular Formula | C20H23N3O4S |
|---|---|
| Molecular Weight | 401.14 g/mol |
| LogP | 2.8053 |
| Topological Polar Surface Area | 80.85 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 401.14093 |
| Heavy Atoms | 28 |
| Complexity | 868.2546 |
Chemical Identifiers
| CAS Number | 497060-36-3 |
|---|---|
| SMILES | CC1(CC2=C(O1)C(=CC=C2)OCC(=O)NNC(=S)NC3=CC=C(C=C3)OC)C |
Product Overview
1-(2-(2,2-DIMETHYL(3-OXAINDAN-4-YLOXY))ACETYL)-4-(4-METHOXYPHENYL)THIOSEMICARBAZIDE (CAS 497060-36-3), with molecular formula C20H23N3O4S and molecular weight 401.14 g/mol. IUPAC: 1-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-3-(4-methoxyphenyl)thiourea.
Chemical Property Profile of 1-(2-(2,2-DIMETHYL(3-OXAINDAN-4-YLOXY))ACETYL)-4-(4-METHOXYPHENYL)THIOSEMICARBAZIDE
Property Insights of 1-(2-(2,2-DIMETHYL(3-OXAINDAN-4-YLOXY))ACETYL)-4-(4-METHOXYPHENYL)THIOSEMICARBAZIDE
The XLogP value of 2.8053 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-(2,2-DIMETHYL(3-OXAINDAN-4-YLOXY))ACETYL)-4-(4-METHOXYPHENYL)THIOSEMICARBAZIDE. The TPSA of 80.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-(2,2-DIMETHYL(3-OXAINDAN-4-YLOXY))ACETYL)-4-(4-METHOXYPHENYL)THIOSEMICARBAZIDE. Following Lipinski's Rule of Five, 1-(2-(2,2-DIMETHYL(3-OXAINDAN-4-YLOXY))ACETYL)-4-(4-METHOXYPHENYL)THIOSEMICARBAZIDE 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-(2-(2,2-DIMETHYL(3-OXAINDAN-4-YLOXY))ACETYL)-4-(4-METHOXYPHENYL)THIOSEMICARBAZIDE?
The CAS number of 1-(2-(2,2-DIMETHYL(3-OXAINDAN-4-YLOXY))ACETYL)-4-(4-METHOXYPHENYL)THIOSEMICARBAZIDE is 497060-36-3.
What is the molecular formula of 1-(2-(2,2-DIMETHYL(3-OXAINDAN-4-YLOXY))ACETYL)-4-(4-METHOXYPHENYL)THIOSEMICARBAZIDE?
The molecular formula of 1-(2-(2,2-DIMETHYL(3-OXAINDAN-4-YLOXY))ACETYL)-4-(4-METHOXYPHENYL)THIOSEMICARBAZIDE is C20H23N3O4S.
What is the molecular weight of 1-(2-(2,2-DIMETHYL(3-OXAINDAN-4-YLOXY))ACETYL)-4-(4-METHOXYPHENYL)THIOSEMICARBAZIDE?
The molecular weight of 1-(2-(2,2-DIMETHYL(3-OXAINDAN-4-YLOXY))ACETYL)-4-(4-METHOXYPHENYL)THIOSEMICARBAZIDE is 401.14 g/mol.
Where can I buy 1-(2-(2,2-DIMETHYL(3-OXAINDAN-4-YLOXY))ACETYL)-4-(4-METHOXYPHENYL)THIOSEMICARBAZIDE?
You can request a quote for 1-(2-(2,2-DIMETHYL(3-OXAINDAN-4-YLOXY))ACETYL)-4-(4-METHOXYPHENYL)THIOSEMICARBAZIDE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-(2,2-DIMETHYL(3-OXAINDAN-4-YLOXY))ACETYL)-4-(4-METHOXYPHENYL)THIOSEMICARBAZIDE?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-(2,2-DIMETHYL(3-OXAINDAN-4-YLOXY))ACETYL)-4-(4-METHOXYPHENYL)THIOSEMICARBAZIDE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.