Methyl 2-imino-1,3-diazepane-4-carboxylate--hydrogen chloride (1/1)
TL;DR: Methyl 2-imino-1,3-diazepane-4-carboxylate--hydrogen chloride (1/1) (CAS 26281-34-5) is a chemical compound with molecular formula C7H14ClN3O2 and molecular weight 207.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-amino-4,5,6,7-tetrahydro-1H-1,3-diazepin-3-ium-7-carboxylate chloride
Also Known As: (-)-Hexahydro-2-imino-1H-1,3-diazepine-4-carboxylic acid methyl ester hydrochloride, 1H-1,3-Diazepine-4-carboxylic acid, hexahydro-2-imino-, methyl ester, monohydrochloride, (-)-, METHYL 2-AMINO-4,5,6,7-TETRAHYDRO-1H-1,3-DIAZEPIN-3-IUM-7-CARBOXYLATECHLORIDE, Methyl 2-imino-1,3-diazepane-4-carboxylate--hydrogen chloride (1/1), methyl 2-amino-4,5,6,7-tetrahydro-1H-1,3-diazepin-3-ium-7-carboxylate chloride
| Molecular Formula | C7H14ClN3O2 |
|---|---|
| Molecular Weight | 207.08 g/mol |
| LogP | -5.69 |
| Topological Polar Surface Area | 78.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 207.07745 |
| Heavy Atoms | 13 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 26281-34-5 |
|---|---|
| SMILES | COC(=O)C1CCC[NH+]=C(N1)N.[Cl-] |
| InChIKey | TZSFAWOPLQFBMY-UHFFFAOYSA-N |
Product Overview
Methyl 2-imino-1,3-diazepane-4-carboxylate--hydrogen chloride (1/1) (CAS 26281-34-5), with molecular formula C7H14ClN3O2 and molecular weight 207.08 g/mol. IUPAC: methyl 2-amino-4,5,6,7-tetrahydro-1H-1,3-diazepin-3-ium-7-carboxylate chloride.
Chemical Property Profile of Methyl 2-imino-1,3-diazepane-4-carboxylate--hydrogen chloride (1/1)
Property Insights of Methyl 2-imino-1,3-diazepane-4-carboxylate--hydrogen chloride (1/1)
The XLogP value of -5.69 indicates that Methyl 2-imino-1,3-diazepane-4-carboxylate--hydrogen chloride (1/1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 78.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-imino-1,3-diazepane-4-carboxylate--hydrogen chloride (1/1). Following Lipinski's Rule of Five, Methyl 2-imino-1,3-diazepane-4-carboxylate--hydrogen chloride (1/1) has 3 hydrogen bond donor(s) and 3 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 Methyl 2-imino-1,3-diazepane-4-carboxylate--hydrogen chloride (1/1)?
The CAS number of Methyl 2-imino-1,3-diazepane-4-carboxylate--hydrogen chloride (1/1) is 26281-34-5.
What is the molecular formula of Methyl 2-imino-1,3-diazepane-4-carboxylate--hydrogen chloride (1/1)?
The molecular formula of Methyl 2-imino-1,3-diazepane-4-carboxylate--hydrogen chloride (1/1) is C7H14ClN3O2.
What is the molecular weight of Methyl 2-imino-1,3-diazepane-4-carboxylate--hydrogen chloride (1/1)?
The molecular weight of Methyl 2-imino-1,3-diazepane-4-carboxylate--hydrogen chloride (1/1) is 207.08 g/mol.
Where can I buy Methyl 2-imino-1,3-diazepane-4-carboxylate--hydrogen chloride (1/1)?
You can request a quote for Methyl 2-imino-1,3-diazepane-4-carboxylate--hydrogen chloride (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-imino-1,3-diazepane-4-carboxylate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-imino-1,3-diazepane-4-carboxylate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.