7-(3-carboxy-5-hydroxy-3,4-dihydro-2H-1,4-benzothiazinyl)alanine
TL;DR: 7-(3-carboxy-5-hydroxy-3,4-dihydro-2H-1,4-benzothiazinyl)alanine (CAS 30612-54-5) is a chemical compound with molecular formula C12H14N2O5S and molecular weight 298.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(2-amino-2-carboxyethyl)-5-hydroxy-3,4-dihydro-2H-1,4-benzothiazine-3-carboxylic acid
Also Known As: DHBTCA, 7-(3-Carboxy-5-hydroxy-3,4-dihydro-2H-1,4-benzothiazinyl)alanine, 2H-1,4-Benzothiazine-7-propanoic acid, alpha-amino-3-carboxy-3,4-dihydro-5-hydroxy-, 7-(2-amino-2-carboxyethyl)-5-hydroxy-3,4-dihydro-2H-1,4-benzothiazine-3-carboxylic acid, 7-(2-amino-2-carboxyethyl)-5-hydroxy-dihydro-1,4-benzothiazine-3-carboxylic acid
| Molecular Formula | C12H14N2O5S |
|---|---|
| Molecular Weight | 298.06 g/mol |
| LogP | 0.3174 |
| Topological Polar Surface Area | 132.88 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 298.06235 |
| Heavy Atoms | 20 |
| Complexity | 563.0238 |
Chemical Identifiers
| CAS Number | 30612-54-5 |
|---|---|
| SMILES | C1C(NC2=C(C=C(C=C2S1)CC(C(=O)O)N)O)C(=O)O |
Product Overview
7-(3-carboxy-5-hydroxy-3,4-dihydro-2H-1,4-benzothiazinyl)alanine (CAS 30612-54-5), with molecular formula C12H14N2O5S and molecular weight 298.06 g/mol. IUPAC: 7-(2-amino-2-carboxyethyl)-5-hydroxy-3,4-dihydro-2H-1,4-benzothiazine-3-carboxylic acid.
Chemical Property Profile of 7-(3-carboxy-5-hydroxy-3,4-dihydro-2H-1,4-benzothiazinyl)alanine
Property Insights of 7-(3-carboxy-5-hydroxy-3,4-dihydro-2H-1,4-benzothiazinyl)alanine
The XLogP value of 0.3174 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(3-carboxy-5-hydroxy-3,4-dihydro-2H-1,4-benzothiazinyl)alanine. The TPSA of 132.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(3-carboxy-5-hydroxy-3,4-dihydro-2H-1,4-benzothiazinyl)alanine. Following Lipinski's Rule of Five, 7-(3-carboxy-5-hydroxy-3,4-dihydro-2H-1,4-benzothiazinyl)alanine has 5 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 7-(3-carboxy-5-hydroxy-3,4-dihydro-2H-1,4-benzothiazinyl)alanine?
The CAS number of 7-(3-carboxy-5-hydroxy-3,4-dihydro-2H-1,4-benzothiazinyl)alanine is 30612-54-5.
What is the molecular formula of 7-(3-carboxy-5-hydroxy-3,4-dihydro-2H-1,4-benzothiazinyl)alanine?
The molecular formula of 7-(3-carboxy-5-hydroxy-3,4-dihydro-2H-1,4-benzothiazinyl)alanine is C12H14N2O5S.
What is the molecular weight of 7-(3-carboxy-5-hydroxy-3,4-dihydro-2H-1,4-benzothiazinyl)alanine?
The molecular weight of 7-(3-carboxy-5-hydroxy-3,4-dihydro-2H-1,4-benzothiazinyl)alanine is 298.06 g/mol.
Where can I buy 7-(3-carboxy-5-hydroxy-3,4-dihydro-2H-1,4-benzothiazinyl)alanine?
You can request a quote for 7-(3-carboxy-5-hydroxy-3,4-dihydro-2H-1,4-benzothiazinyl)alanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-(3-carboxy-5-hydroxy-3,4-dihydro-2H-1,4-benzothiazinyl)alanine?
Yes, KEHONG BIO provides custom synthesis services for 7-(3-carboxy-5-hydroxy-3,4-dihydro-2H-1,4-benzothiazinyl)alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.