2-Carbethoxy-4-(3-dimethylaminopropyl)-4H-1,4-benzothiazine hydrochloride
TL;DR: 2-Carbethoxy-4-(3-dimethylaminopropyl)-4H-1,4-benzothiazine hydrochloride (CAS 42551-55-3) is a chemical compound with molecular formula C16H23ClN2O2S and molecular weight 342.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[3-(dimethylamino)propyl]-1,4-benzothiazine-2-carboxylate;hydrochloride
Also Known As: 2-Carbethoxy-4-(3-dimethylaminopropyl)-4H-1,4-benzothiazine hydrochloride, 4H-1,4-Benzothiazine-2-carboxylic acid, 4-(3-(dimethylamino)propyl)-, ethyl ester, monohydrochloride, Cloridrato della 2-carboetossi-4-(3-dimetilaminopropil)-4H-1,4-benzotiazina [Italian], Cloridrato della 2-carboetossi-4-(3-dimetilaminopropil)-4H-1,4-benzotiazina, ethyl 4-[3-(dimethylamino)propyl]-4h-1,4-benzothiazine-2-carboxylate hydrochloride(1:1)
| Molecular Formula | C16H23ClN2O2S |
|---|---|
| Molecular Weight | 342.12 g/mol |
| LogP | 3.3767 |
| Topological Polar Surface Area | 58.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 342.11688 |
| Heavy Atoms | 22 |
| Complexity | 384.0 |
Chemical Identifiers
| CAS Number | 42551-55-3 |
|---|---|
| SMILES | CCOC(=O)C1=CN(C2=CC=CC=C2S1)CCCN(C)C.Cl |
| InChIKey | YUPNBEUNXNSVJH-UHFFFAOYSA-N |
Product Overview
2-Carbethoxy-4-(3-dimethylaminopropyl)-4H-1,4-benzothiazine hydrochloride (CAS 42551-55-3), with molecular formula C16H23ClN2O2S and molecular weight 342.12 g/mol. IUPAC: ethyl 4-[3-(dimethylamino)propyl]-1,4-benzothiazine-2-carboxylate;hydrochloride.
Chemical Property Profile of 2-Carbethoxy-4-(3-dimethylaminopropyl)-4H-1,4-benzothiazine hydrochloride
Property Insights of 2-Carbethoxy-4-(3-dimethylaminopropyl)-4H-1,4-benzothiazine hydrochloride
The XLogP value of 3.3767 indicates that 2-Carbethoxy-4-(3-dimethylaminopropyl)-4H-1,4-benzothiazine hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.1 Ų, 2-Carbethoxy-4-(3-dimethylaminopropyl)-4H-1,4-benzothiazine hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Carbethoxy-4-(3-dimethylaminopropyl)-4H-1,4-benzothiazine hydrochloride has 1 hydrogen bond donor(s) and 5 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 2-Carbethoxy-4-(3-dimethylaminopropyl)-4H-1,4-benzothiazine hydrochloride?
The CAS number of 2-Carbethoxy-4-(3-dimethylaminopropyl)-4H-1,4-benzothiazine hydrochloride is 42551-55-3.
What is the molecular formula of 2-Carbethoxy-4-(3-dimethylaminopropyl)-4H-1,4-benzothiazine hydrochloride?
The molecular formula of 2-Carbethoxy-4-(3-dimethylaminopropyl)-4H-1,4-benzothiazine hydrochloride is C16H23ClN2O2S.
What is the molecular weight of 2-Carbethoxy-4-(3-dimethylaminopropyl)-4H-1,4-benzothiazine hydrochloride?
The molecular weight of 2-Carbethoxy-4-(3-dimethylaminopropyl)-4H-1,4-benzothiazine hydrochloride is 342.12 g/mol.
Where can I buy 2-Carbethoxy-4-(3-dimethylaminopropyl)-4H-1,4-benzothiazine hydrochloride?
You can request a quote for 2-Carbethoxy-4-(3-dimethylaminopropyl)-4H-1,4-benzothiazine hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Carbethoxy-4-(3-dimethylaminopropyl)-4H-1,4-benzothiazine hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2-Carbethoxy-4-(3-dimethylaminopropyl)-4H-1,4-benzothiazine hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.