Bbr 2160
TL;DR: Bbr 2160 (CAS 13907-95-4) is a chemical compound with molecular formula C21H25N3O7S and molecular weight 463.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-O-ethyl 5-O-methyl 2-(2-formamidoethylsulfanylmethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: Bbr 2160, 3,5-Pyridinedicarboxylic acid, 2-(((2-(formylamino)ethyl)thio)methyl)-1,4-dihydro-6-methyl-4-(3-nitrophenyl)-, 3-ethyl 5-methyl ester, 3-O-ethyl 5-O-methyl 2-(2-formamidoethylsulfanylmethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, 3,5-Pyridinedicarboxylicacid,2-[[[2-(formylamino)ethyl]thio]methyl]-1,4-dihydro-6-methyl-4-(3-nitrophenyl)-,3-ethyl 5-methyl ester, 3-ethyl 5-methyl 2-({[2-(formylamino)ethyl]sulfanyl}methyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
| Molecular Formula | C21H25N3O7S |
|---|---|
| Molecular Weight | 463.14 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 165.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 463.14133 |
| Heavy Atoms | 32 |
| Complexity | 791.0 |
Chemical Identifiers
| CAS Number | 13907-95-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)C)CSCCNC=O |
| InChIKey | CLMNTOZRDYXVRT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bbr 2160 (CAS 13907-95-4), with molecular formula C21H25N3O7S and molecular weight 463.14 g/mol. IUPAC: 3-O-ethyl 5-O-methyl 2-(2-formamidoethylsulfanylmethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate.
Chemical Property Profile of Bbr 2160
Property Insights of Bbr 2160
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bbr 2160. The TPSA of 165.0 Ų indicates high polarity, suggesting Bbr 2160 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bbr 2160 has 2 hydrogen bond donor(s) and 9 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 Bbr 2160?
The CAS number of Bbr 2160 is 13907-95-4.
What is the molecular formula of Bbr 2160?
The molecular formula of Bbr 2160 is C21H25N3O7S.
What is the molecular weight of Bbr 2160?
The molecular weight of Bbr 2160 is 463.14 g/mol.
Where can I buy Bbr 2160?
You can request a quote for Bbr 2160 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bbr 2160?
Yes, KEHONG BIO provides custom synthesis services for Bbr 2160 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.