DA 4643
TL;DR: DA 4643 (CAS 95833-19-5) is a chemical compound with molecular formula C12H16Cl2N6S and molecular weight 346.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]phenyl]-N'-methylmethanimidamide;dihydrochloride
Also Known As: DA 4643, DA 4643 (dihydrochloride), Guanidine, [4-[3-[[(methylamino)methylene]amino]phenyl]-2-thiazolyl]-, N-[3-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]phenyl]-N'-methylmethanimidamide;dihydrochloride, N-Methyl-N'-(3-(2-guanidinothiazol-4-yl)phenyl)formamidine
| Molecular Formula | C12H16Cl2N6S |
|---|---|
| Molecular Weight | 346.05 g/mol |
| LogP | 2.6286 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 346.05344 |
| Heavy Atoms | 21 |
| Complexity | 341.0 |
Chemical Identifiers
| CAS Number | 95833-19-5 |
|---|---|
| SMILES | CN=CNC1=CC=CC(=C1)C2=CSC(=N2)N=C(N)N.Cl.Cl |
| InChIKey | IEYCURUPIFJVRO-UHFFFAOYSA-N |
Product Overview
DA 4643 (CAS 95833-19-5), with molecular formula C12H16Cl2N6S and molecular weight 346.05 g/mol. IUPAC: N-[3-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]phenyl]-N'-methylmethanimidamide;dihydrochloride.
Chemical Property Profile of DA 4643
Property Insights of DA 4643
The XLogP value of 2.6286 suggests moderate lipophilicity, balancing water solubility and membrane permeability for DA 4643. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for DA 4643. Following Lipinski's Rule of Five, DA 4643 has 5 hydrogen bond donor(s) and 4 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 DA 4643?
The CAS number of DA 4643 is 95833-19-5.
What is the molecular formula of DA 4643?
The molecular formula of DA 4643 is C12H16Cl2N6S.
What is the molecular weight of DA 4643?
The molecular weight of DA 4643 is 346.05 g/mol.
Where can I buy DA 4643?
You can request a quote for DA 4643 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DA 4643?
Yes, KEHONG BIO provides custom synthesis services for DA 4643 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.