Calcium channel-modulator-1
TL;DR: Calcium channel-modulator-1 (CAS 136941-70-3) is a chemical compound with molecular formula C26H24Cl2N2O7S and molecular weight 578.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-O-methyl 5-O-[3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propyl] 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: Calcium channel-modulator-1, HY-U00135, PCA 50938, 3-O-methyl 5-O-[3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propyl] 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate, 3-(3-(1,1-Dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)propyl) 5-methyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
| Molecular Formula | C26H24Cl2N2O7S |
|---|---|
| Molecular Weight | 578.07 g/mol |
| LogP | 4.1792 |
| Topological Polar Surface Area | 119.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 578.0681 |
| Heavy Atoms | 38 |
| Complexity | 1515.1901 |
Chemical Identifiers
| CAS Number | 136941-70-3 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)C)C(=O)OCCCN2C(=O)C3=CC=CC=C3S2(=O)=O)C4=C(C(=CC=C4)Cl)Cl)C(=O)OC |
Product Overview
Calcium channel-modulator-1 (CAS 136941-70-3), with molecular formula C26H24Cl2N2O7S and molecular weight 578.07 g/mol. IUPAC: 3-O-methyl 5-O-[3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propyl] 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate.
Chemical Property Profile of Calcium channel-modulator-1
Property Insights of Calcium channel-modulator-1
The XLogP value of 4.1792 indicates that Calcium channel-modulator-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.08 Ų falls within the moderate polarity range, balancing permeability and solubility for Calcium channel-modulator-1. Following Lipinski's Rule of Five, Calcium channel-modulator-1 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Calcium channel-modulator-1?
The CAS number of Calcium channel-modulator-1 is 136941-70-3.
What is the molecular formula of Calcium channel-modulator-1?
The molecular formula of Calcium channel-modulator-1 is C26H24Cl2N2O7S.
What is the molecular weight of Calcium channel-modulator-1?
The molecular weight of Calcium channel-modulator-1 is 578.07 g/mol.
Where can I buy Calcium channel-modulator-1?
You can request a quote for Calcium channel-modulator-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calcium channel-modulator-1?
Yes, KEHONG BIO provides custom synthesis services for Calcium channel-modulator-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.