Urea, N-(4-methoxyphenyl)-N'-(3a,4,5,6,7,7a-hexahydro-1,2-benzisothiazol-3-yl)-
TL;DR: Urea, N-(4-methoxyphenyl)-N'-(3a,4,5,6,7,7a-hexahydro-1,2-benzisothiazol-3-yl)- (CAS 1136-00-1) is a chemical compound with molecular formula C15H19N3O2S and molecular weight 305.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3a,4,5,6,7,7a-hexahydro-1,2-benzothiazol-3-yl)-3-(4-methoxyphenyl)urea
Also Known As: 2'-NH2-dA, KST-1A9908, 1-(3a,4,5,6,7,7a-hexahydro-1,2-benzothiazol-3-yl)-3-(4-methoxyphenyl)urea, Urea, N-(4-methoxyphenyl)-N'-(3a,4,5,6,7,7a-hexahydro-1,2-benzisothiazol-3-yl)-, Urea,N-(3a,4,5,6,7,7a-hexahydro-1,2-benzisothiazol-3-yl)-N'-(4-methoxyphenyl)-
| Molecular Formula | C15H19N3O2S |
|---|---|
| Molecular Weight | 305.12 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 88.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 305.1198 |
| Heavy Atoms | 21 |
| Complexity | 408.0 |
Chemical Identifiers
| CAS Number | 1136-00-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC(=O)NC2=NSC3C2CCCC3 |
| InChIKey | MOJHXGZSBIMRTP-UHFFFAOYSA-N |
Product Overview
Urea, N-(4-methoxyphenyl)-N'-(3a,4,5,6,7,7a-hexahydro-1,2-benzisothiazol-3-yl)- (CAS 1136-00-1), with molecular formula C15H19N3O2S and molecular weight 305.12 g/mol. IUPAC: 1-(3a,4,5,6,7,7a-hexahydro-1,2-benzothiazol-3-yl)-3-(4-methoxyphenyl)urea.
Chemical Property Profile of Urea, N-(4-methoxyphenyl)-N'-(3a,4,5,6,7,7a-hexahydro-1,2-benzisothiazol-3-yl)-
Property Insights of Urea, N-(4-methoxyphenyl)-N'-(3a,4,5,6,7,7a-hexahydro-1,2-benzisothiazol-3-yl)-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Urea, N-(4-methoxyphenyl)-N'-(3a,4,5,6,7,7a-hexahydro-1,2-benzisothiazol-3-yl)-. The TPSA of 88.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Urea, N-(4-methoxyphenyl)-N'-(3a,4,5,6,7,7a-hexahydro-1,2-benzisothiazol-3-yl)-. Following Lipinski's Rule of Five, Urea, N-(4-methoxyphenyl)-N'-(3a,4,5,6,7,7a-hexahydro-1,2-benzisothiazol-3-yl)- has 2 hydrogen bond donor(s) and 4 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 Urea, N-(4-methoxyphenyl)-N'-(3a,4,5,6,7,7a-hexahydro-1,2-benzisothiazol-3-yl)-?
The CAS number of Urea, N-(4-methoxyphenyl)-N'-(3a,4,5,6,7,7a-hexahydro-1,2-benzisothiazol-3-yl)- is 1136-00-1.
What is the molecular formula of Urea, N-(4-methoxyphenyl)-N'-(3a,4,5,6,7,7a-hexahydro-1,2-benzisothiazol-3-yl)-?
The molecular formula of Urea, N-(4-methoxyphenyl)-N'-(3a,4,5,6,7,7a-hexahydro-1,2-benzisothiazol-3-yl)- is C15H19N3O2S.
What is the molecular weight of Urea, N-(4-methoxyphenyl)-N'-(3a,4,5,6,7,7a-hexahydro-1,2-benzisothiazol-3-yl)-?
The molecular weight of Urea, N-(4-methoxyphenyl)-N'-(3a,4,5,6,7,7a-hexahydro-1,2-benzisothiazol-3-yl)- is 305.12 g/mol.
Where can I buy Urea, N-(4-methoxyphenyl)-N'-(3a,4,5,6,7,7a-hexahydro-1,2-benzisothiazol-3-yl)-?
You can request a quote for Urea, N-(4-methoxyphenyl)-N'-(3a,4,5,6,7,7a-hexahydro-1,2-benzisothiazol-3-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Urea, N-(4-methoxyphenyl)-N'-(3a,4,5,6,7,7a-hexahydro-1,2-benzisothiazol-3-yl)-?
Yes, KEHONG BIO provides custom synthesis services for Urea, N-(4-methoxyphenyl)-N'-(3a,4,5,6,7,7a-hexahydro-1,2-benzisothiazol-3-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.