N-(3,4-dihydro-2H-1-benzothiepin-5-ylidene)hydroxylamine
TL;DR: N-(3,4-dihydro-2H-1-benzothiepin-5-ylidene)hydroxylamine (CAS 5583-39-1) is a chemical compound with molecular formula C10H11NOS and molecular weight 193.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,4-dihydro-2H-1-benzothiepin-5-ylidene)hydroxylamine
Also Known As: 3,4-dihydro-1-benzothiepin-5(2H)-one oxime, N-(3,4-dihydro-2H-1-benzothiepin-5-ylidene)hydroxylamine, (Z)-3,4-dihydrobenzo[b]thiepin-5(2H)-one oxime, N-[(5Z)-2,3,4,5-tetrahydro-1-benzothiepin-5-ylidene]hydroxylamine
| Molecular Formula | C10H11NOS |
|---|---|
| Molecular Weight | 193.06 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 57.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 193.05614 |
| Heavy Atoms | 13 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 5583-39-1 |
|---|---|
| SMILES | C1CC(=NO)C2=CC=CC=C2SC1 |
| InChIKey | VFJJDUKSHZJVKP-UHFFFAOYSA-N |
Product Overview
N-(3,4-dihydro-2H-1-benzothiepin-5-ylidene)hydroxylamine (CAS 5583-39-1), with molecular formula C10H11NOS and molecular weight 193.06 g/mol. IUPAC: N-(3,4-dihydro-2H-1-benzothiepin-5-ylidene)hydroxylamine.
Chemical Property Profile of N-(3,4-dihydro-2H-1-benzothiepin-5-ylidene)hydroxylamine
Property Insights of N-(3,4-dihydro-2H-1-benzothiepin-5-ylidene)hydroxylamine
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3,4-dihydro-2H-1-benzothiepin-5-ylidene)hydroxylamine. With a topological polar surface area (TPSA) of 57.9 Ų, N-(3,4-dihydro-2H-1-benzothiepin-5-ylidene)hydroxylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3,4-dihydro-2H-1-benzothiepin-5-ylidene)hydroxylamine has 1 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 N-(3,4-dihydro-2H-1-benzothiepin-5-ylidene)hydroxylamine?
The CAS number of N-(3,4-dihydro-2H-1-benzothiepin-5-ylidene)hydroxylamine is 5583-39-1.
What is the molecular formula of N-(3,4-dihydro-2H-1-benzothiepin-5-ylidene)hydroxylamine?
The molecular formula of N-(3,4-dihydro-2H-1-benzothiepin-5-ylidene)hydroxylamine is C10H11NOS.
What is the molecular weight of N-(3,4-dihydro-2H-1-benzothiepin-5-ylidene)hydroxylamine?
The molecular weight of N-(3,4-dihydro-2H-1-benzothiepin-5-ylidene)hydroxylamine is 193.06 g/mol.
Where can I buy N-(3,4-dihydro-2H-1-benzothiepin-5-ylidene)hydroxylamine?
You can request a quote for N-(3,4-dihydro-2H-1-benzothiepin-5-ylidene)hydroxylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3,4-dihydro-2H-1-benzothiepin-5-ylidene)hydroxylamine?
Yes, KEHONG BIO provides custom synthesis services for N-(3,4-dihydro-2H-1-benzothiepin-5-ylidene)hydroxylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.