(3,4-dihydro-2H-1-benzothiepin-5-ylideneamino)urea
TL;DR: (3,4-dihydro-2H-1-benzothiepin-5-ylideneamino)urea (CAS 93622-04-9) is a chemical compound with molecular formula C11H13N3OS and molecular weight 235.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,4-dihydro-2H-1-benzothiepin-5-ylideneamino)urea
Also Known As: (3,4-dihydro-2H-1-benzothiepin-5-ylideneamino)urea, 3,4-dihydro-1-benzothiepin-5(2H)-one semicarbazone
| Molecular Formula | C11H13N3OS |
|---|---|
| Molecular Weight | 235.08 g/mol |
| LogP | 1.9449 |
| Topological Polar Surface Area | 67.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 235.07793 |
| Heavy Atoms | 16 |
| Complexity | 430.99277 |
Chemical Identifiers
| CAS Number | 93622-04-9 |
|---|---|
| SMILES | C1CC(=NNC(=O)N)C2=CC=CC=C2SC1 |
Product Overview
(3,4-dihydro-2H-1-benzothiepin-5-ylideneamino)urea (CAS 93622-04-9), with molecular formula C11H13N3OS and molecular weight 235.08 g/mol. IUPAC: (3,4-dihydro-2H-1-benzothiepin-5-ylideneamino)urea.
Chemical Property Profile of (3,4-dihydro-2H-1-benzothiepin-5-ylideneamino)urea
Property Insights of (3,4-dihydro-2H-1-benzothiepin-5-ylideneamino)urea
The XLogP value of 1.9449 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3,4-dihydro-2H-1-benzothiepin-5-ylideneamino)urea. The TPSA of 67.48 Ų falls within the moderate polarity range, balancing permeability and solubility for (3,4-dihydro-2H-1-benzothiepin-5-ylideneamino)urea. Following Lipinski's Rule of Five, (3,4-dihydro-2H-1-benzothiepin-5-ylideneamino)urea has 2 hydrogen bond donor(s) and 3 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 (3,4-dihydro-2H-1-benzothiepin-5-ylideneamino)urea?
The CAS number of (3,4-dihydro-2H-1-benzothiepin-5-ylideneamino)urea is 93622-04-9.
What is the molecular formula of (3,4-dihydro-2H-1-benzothiepin-5-ylideneamino)urea?
The molecular formula of (3,4-dihydro-2H-1-benzothiepin-5-ylideneamino)urea is C11H13N3OS.
What is the molecular weight of (3,4-dihydro-2H-1-benzothiepin-5-ylideneamino)urea?
The molecular weight of (3,4-dihydro-2H-1-benzothiepin-5-ylideneamino)urea is 235.08 g/mol.
Where can I buy (3,4-dihydro-2H-1-benzothiepin-5-ylideneamino)urea?
You can request a quote for (3,4-dihydro-2H-1-benzothiepin-5-ylideneamino)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3,4-dihydro-2H-1-benzothiepin-5-ylideneamino)urea?
Yes, KEHONG BIO provides custom synthesis services for (3,4-dihydro-2H-1-benzothiepin-5-ylideneamino)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.