卡茚西林
TL;DR: 卡茚西林 (CAS 35531-88-5) is a chemical compound with molecular formula C26H26N2O6S and molecular weight 494.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
卡茚西林
6-[[3-(2,3-dihydro-1H-inden-5-yloxy)-3-oxo-2-phenylpropanoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Also Known As: Carindacillin, Carbenicillin indanyl, 6-[[3-(2,3-dihydro-1H-inden-5-yloxy)-3-oxo-2-phenylpropanoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-{3-[(2,3-Dihydro-1H-inden-5-yl)oxy]-3-oxo-2-phenylpropanamido}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
| Molecular Formula | C26H26N2O6S |
|---|---|
| Molecular Weight | 494.15 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 494.15115 |
| Heavy Atoms | 35 |
| Complexity | 887.0 |
Chemical Identifiers
| CAS Number | 35531-88-5 |
|---|---|
| SMILES | CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)C(=O)OC4=CC5=C(CCC5)C=C4)C(=O)O)C |
| InChIKey | JIRBAUWICKGBFE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
卡茚西林 (CAS 35531-88-5), with molecular formula C26H26N2O6S and molecular weight 494.15 g/mol. IUPAC: 6-[[3-(2,3-dihydro-1H-inden-5-yloxy)-3-oxo-2-phenylpropanoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.
Chemical Property Profile of 卡茚西林
Property Insights of 卡茚西林
The XLogP value of 3.8 indicates that 卡茚西林 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 卡茚西林. Following Lipinski's Rule of Five, 卡茚西林 has 2 hydrogen bond donor(s) and 7 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 卡茚西林?
The CAS number of 卡茚西林 is 35531-88-5.
What is the molecular formula of 卡茚西林?
The molecular formula of 卡茚西林 is C26H26N2O6S.
What is the molecular weight of 卡茚西林?
The molecular weight of 卡茚西林 is 494.15 g/mol.
Where can I buy 卡茚西林?
You can request a quote for 卡茚西林 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 卡茚西林?
Yes, KEHONG BIO provides custom synthesis services for 卡茚西林 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.