亚硫酸钙
TL;DR: 亚硫酸钙 (CAS 10257-55-3) is a chemical compound with molecular formula C13H17BrN2O and molecular weight 296.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
亚硫酸钙
1-(2-bromoethyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)urea
Also Known As: 3-(2-Bromoethyl)-1-(5,6,7,8-tetrahydro-2-naphthyl)urea, Urea, 3-(2-bromoethyl)-1-(5,6,7,8-tetrahydro-2-naphthyl)-, 1-(2-Bromoethyl)-3-(5,6,7,8-tetrahydro-2-naphthyl)urea, 1-(2-bromoethyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)urea, Urea,N-(2-bromoethyl)-N'-(5,6,7,8-tetrahydro-2-naphthalenyl)-
| Molecular Formula | C13H17BrN2O |
|---|---|
| Molecular Weight | 296.05 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 296.05243 |
| Heavy Atoms | 17 |
| Complexity | 260.0 |
Chemical Identifiers
| CAS Number | 10257-55-3 |
|---|---|
| SMILES | C1CCC2=C(C1)C=CC(=C2)NC(=O)NCCBr |
| InChIKey | FBYXVCHXMFKRNS-UHFFFAOYSA-N |
Product Overview
亚硫酸钙 (CAS 10257-55-3), with molecular formula C13H17BrN2O and molecular weight 296.05 g/mol. IUPAC: 1-(2-bromoethyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)urea.
Chemical Property Profile of 亚硫酸钙
Property Insights of 亚硫酸钙
The XLogP value of 3.1 indicates that 亚硫酸钙 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.1 Ų, 亚硫酸钙 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 亚硫酸钙 has 2 hydrogen bond donor(s) and 1 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 亚硫酸钙?
The CAS number of 亚硫酸钙 is 10257-55-3.
What is the molecular formula of 亚硫酸钙?
The molecular formula of 亚硫酸钙 is C13H17BrN2O.
What is the molecular weight of 亚硫酸钙?
The molecular weight of 亚硫酸钙 is 296.05 g/mol.
Where can I buy 亚硫酸钙?
You can request a quote for 亚硫酸钙 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 亚硫酸钙?
Yes, KEHONG BIO provides custom synthesis services for 亚硫酸钙 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.