卡比地姆乙磺酸盐
TL;DR: 卡比地姆乙磺酸盐 (CAS 3811-06-1) is a chemical compound with molecular formula C25H27N3O5S and molecular weight 481.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
卡比地姆乙磺酸盐
ethanesulfonate;ethyl N-[4-(2-amino-5-methylphenanthridin-5-ium-6-yl)phenyl]carbamate
Also Known As: Carbidium ethanesulfonate, Carbidium ethanesulphonate, 3-Amino-9-p-carbethoxyaminophenyl-10-methylphenanthridinium ethanesulphonate, 2-Amino-6-(p-carboxyaminophenyl)-5-methylphenanthridinium ethanesulfonate ethyl ester, Phenanthridinium, 2-amino-6-(4-((ethoxycarbonyl)amino)phenyl)-5-methyl-, ethanesulfonate
| Molecular Formula | C25H27N3O5S |
|---|---|
| Molecular Weight | 481.17 g/mol |
| LogP | 4.1866 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 481.16714 |
| Heavy Atoms | 34 |
| Complexity | 626.0 |
Chemical Identifiers
| CAS Number | 3811-06-1 |
|---|---|
| SMILES | CCOC(=O)NC1=CC=C(C=C1)C2=[N+](C3=C(C=C(C=C3)N)C4=CC=CC=C42)C.CCS(=O)(=O)[O-] |
| InChIKey | HWNAMLYNDCCMPV-UHFFFAOYSA-N |
Product Overview
卡比地姆乙磺酸盐 (CAS 3811-06-1), with molecular formula C25H27N3O5S and molecular weight 481.17 g/mol. IUPAC: ethanesulfonate;ethyl N-[4-(2-amino-5-methylphenanthridin-5-ium-6-yl)phenyl]carbamate.
Chemical Property Profile of 卡比地姆乙磺酸盐
Property Insights of 卡比地姆乙磺酸盐
The XLogP value of 4.1866 indicates that 卡比地姆乙磺酸盐 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 卡比地姆乙磺酸盐. Following Lipinski's Rule of Five, 卡比地姆乙磺酸盐 has 2 hydrogen bond donor(s) and 6 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 卡比地姆乙磺酸盐?
The CAS number of 卡比地姆乙磺酸盐 is 3811-06-1.
What is the molecular formula of 卡比地姆乙磺酸盐?
The molecular formula of 卡比地姆乙磺酸盐 is C25H27N3O5S.
What is the molecular weight of 卡比地姆乙磺酸盐?
The molecular weight of 卡比地姆乙磺酸盐 is 481.17 g/mol.
Where can I buy 卡比地姆乙磺酸盐?
You can request a quote for 卡比地姆乙磺酸盐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 卡比地姆乙磺酸盐?
Yes, KEHONG BIO provides custom synthesis services for 卡比地姆乙磺酸盐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.