2-(Dimethylamino)-1-phenylpropyl carbamimidothioate--hydrogen chloride (1/2)
TL;DR: 2-(Dimethylamino)-1-phenylpropyl carbamimidothioate--hydrogen chloride (1/2) (CAS 1444-32-2) is a chemical compound with molecular formula C12H21Cl2N3S and molecular weight 309.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2S)-2-(dimethylamino)-1-phenylpropyl] carbamimidothioate;dihydrochloride
Also Known As: (1s,2s)-2-(dimethylamino)-1-phenylpropyl carbamimidothioatedihydrochloride, Carbamimidothioic acid, 2-(dimethylamino)-1-phenylpropyl ester, dihydrochloride, (S-(R*,R*))-, 2-(Dimethylamino)-1-phenylpropyl carbamimidothioate--hydrogen chloride (1/2), (1S,2S)-2-(Dimethylamino)-1-phenylpropyl carbamimidothioate--hydrogen chloride (1/2), [(1S,2S)-2-(dimethylamino)-1-phenylpropyl] carbamimidothioate dihydrochloride
| Molecular Formula | C12H21Cl2N3S |
|---|---|
| Molecular Weight | 309.08 g/mol |
| LogP | 3.15 |
| Topological Polar Surface Area | 78.4 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 309.0833 |
| Heavy Atoms | 18 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 1444-32-2 |
|---|---|
| SMILES | C[C@@H]([C@H](C1=CC=CC=C1)SC(=N)N)N(C)C.Cl.Cl |
| InChIKey | XYBSWHMCXRKKMX-NAUXGDFUSA-N |
Product Overview
2-(Dimethylamino)-1-phenylpropyl carbamimidothioate--hydrogen chloride (1/2) (CAS 1444-32-2), with molecular formula C12H21Cl2N3S and molecular weight 309.08 g/mol. IUPAC: [(1S,2S)-2-(dimethylamino)-1-phenylpropyl] carbamimidothioate;dihydrochloride.
Chemical Property Profile of 2-(Dimethylamino)-1-phenylpropyl carbamimidothioate--hydrogen chloride (1/2)
Property Insights of 2-(Dimethylamino)-1-phenylpropyl carbamimidothioate--hydrogen chloride (1/2)
The XLogP value of 3.15 indicates that 2-(Dimethylamino)-1-phenylpropyl carbamimidothioate--hydrogen chloride (1/2) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Dimethylamino)-1-phenylpropyl carbamimidothioate--hydrogen chloride (1/2). Following Lipinski's Rule of Five, 2-(Dimethylamino)-1-phenylpropyl carbamimidothioate--hydrogen chloride (1/2) has 4 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 2-(Dimethylamino)-1-phenylpropyl carbamimidothioate--hydrogen chloride (1/2)?
The CAS number of 2-(Dimethylamino)-1-phenylpropyl carbamimidothioate--hydrogen chloride (1/2) is 1444-32-2.
What is the molecular formula of 2-(Dimethylamino)-1-phenylpropyl carbamimidothioate--hydrogen chloride (1/2)?
The molecular formula of 2-(Dimethylamino)-1-phenylpropyl carbamimidothioate--hydrogen chloride (1/2) is C12H21Cl2N3S.
What is the molecular weight of 2-(Dimethylamino)-1-phenylpropyl carbamimidothioate--hydrogen chloride (1/2)?
The molecular weight of 2-(Dimethylamino)-1-phenylpropyl carbamimidothioate--hydrogen chloride (1/2) is 309.08 g/mol.
Where can I buy 2-(Dimethylamino)-1-phenylpropyl carbamimidothioate--hydrogen chloride (1/2)?
You can request a quote for 2-(Dimethylamino)-1-phenylpropyl carbamimidothioate--hydrogen chloride (1/2) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Dimethylamino)-1-phenylpropyl carbamimidothioate--hydrogen chloride (1/2)?
Yes, KEHONG BIO provides custom synthesis services for 2-(Dimethylamino)-1-phenylpropyl carbamimidothioate--hydrogen chloride (1/2) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.