![N-[(2S,3S,4R)-8-Amino-2-(dimethoxymethyl)-3,4-dihydro-3-hydroxy-2-methyl-2H-1-benzopyran-4-yl]-N'-cyano-N''-(phenylmethyl)guanidine structure](/static/products/335/335381-99-2.png)
N-[(2S,3S,4R)-8-Amino-2-(dimethoxymethyl)-3,4-dihydro-3-hydroxy-2-methyl-2H-1-benzopyran-4-yl]-N'-cyano-N''-(phenylmethyl)guanidine
TL;DR: N-[(2S,3S,4R)-8-Amino-2-(dimethoxymethyl)-3,4-dihydro-3-hydroxy-2-methyl-2H-1-benzopyran-4-yl]-N'-cyano-N''-(phenylmethyl)guanidine (CAS 335381-99-2) is a chemical compound with molecular formula C22H27N5O4 and molecular weight 425.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2S,3S,4R)-8-amino-2-(dimethoxymethyl)-3-hydroxy-2-methyl-3,4-dihydrochromen-4-yl]-2-benzyl-3-cyanoguanidine
Also Known As: N-[(2S,3S,4R)-8-Amino-2-(dimethoxymethyl)-3,4-dihydro-3-hydroxy-2-methyl-2H-1-benzopyran-4-yl]-N'-cyano-N''-(phenylmethyl)guanidine
| Molecular Formula | C22H27N5O4 |
|---|---|
| Molecular Weight | 425.21 g/mol |
| LogP | 1.65728 |
| Topological Polar Surface Area | 134.15 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 425.2063 |
| Heavy Atoms | 31 |
| Complexity | 958.1188 |
Chemical Identifiers
| CAS Number | 335381-99-2 |
|---|---|
| SMILES | C[C@]1([C@H]([C@@H](C2=C(O1)C(=CC=C2)N)NC(=NCC3=CC=CC=C3)NC#N)O)C(OC)OC |
Product Overview
N-[(2S,3S,4R)-8-Amino-2-(dimethoxymethyl)-3,4-dihydro-3-hydroxy-2-methyl-2H-1-benzopyran-4-yl]-N'-cyano-N''-(phenylmethyl)guanidine (CAS 335381-99-2), with molecular formula C22H27N5O4 and molecular weight 425.21 g/mol. IUPAC: 1-[(2S,3S,4R)-8-amino-2-(dimethoxymethyl)-3-hydroxy-2-methyl-3,4-dihydrochromen-4-yl]-2-benzyl-3-cyanoguanidine.
Chemical Property Profile of N-[(2S,3S,4R)-8-Amino-2-(dimethoxymethyl)-3,4-dihydro-3-hydroxy-2-methyl-2H-1-benzopyran-4-yl]-N'-cyano-N''-(phenylmethyl)guanidine
Property Insights of N-[(2S,3S,4R)-8-Amino-2-(dimethoxymethyl)-3,4-dihydro-3-hydroxy-2-methyl-2H-1-benzopyran-4-yl]-N'-cyano-N''-(phenylmethyl)guanidine
The XLogP value of 1.65728 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(2S,3S,4R)-8-Amino-2-(dimethoxymethyl)-3,4-dihydro-3-hydroxy-2-methyl-2H-1-benzopyran-4-yl]-N'-cyano-N''-(phenylmethyl)guanidine. The TPSA of 134.15 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(2S,3S,4R)-8-Amino-2-(dimethoxymethyl)-3,4-dihydro-3-hydroxy-2-methyl-2H-1-benzopyran-4-yl]-N'-cyano-N''-(phenylmethyl)guanidine. Following Lipinski's Rule of Five, N-[(2S,3S,4R)-8-Amino-2-(dimethoxymethyl)-3,4-dihydro-3-hydroxy-2-methyl-2H-1-benzopyran-4-yl]-N'-cyano-N''-(phenylmethyl)guanidine has 4 hydrogen bond donor(s) and 7 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 N-[(2S,3S,4R)-8-Amino-2-(dimethoxymethyl)-3,4-dihydro-3-hydroxy-2-methyl-2H-1-benzopyran-4-yl]-N'-cyano-N''-(phenylmethyl)guanidine?
The CAS number of N-[(2S,3S,4R)-8-Amino-2-(dimethoxymethyl)-3,4-dihydro-3-hydroxy-2-methyl-2H-1-benzopyran-4-yl]-N'-cyano-N''-(phenylmethyl)guanidine is 335381-99-2.
What is the molecular formula of N-[(2S,3S,4R)-8-Amino-2-(dimethoxymethyl)-3,4-dihydro-3-hydroxy-2-methyl-2H-1-benzopyran-4-yl]-N'-cyano-N''-(phenylmethyl)guanidine?
The molecular formula of N-[(2S,3S,4R)-8-Amino-2-(dimethoxymethyl)-3,4-dihydro-3-hydroxy-2-methyl-2H-1-benzopyran-4-yl]-N'-cyano-N''-(phenylmethyl)guanidine is C22H27N5O4.
What is the molecular weight of N-[(2S,3S,4R)-8-Amino-2-(dimethoxymethyl)-3,4-dihydro-3-hydroxy-2-methyl-2H-1-benzopyran-4-yl]-N'-cyano-N''-(phenylmethyl)guanidine?
The molecular weight of N-[(2S,3S,4R)-8-Amino-2-(dimethoxymethyl)-3,4-dihydro-3-hydroxy-2-methyl-2H-1-benzopyran-4-yl]-N'-cyano-N''-(phenylmethyl)guanidine is 425.21 g/mol.
Where can I buy N-[(2S,3S,4R)-8-Amino-2-(dimethoxymethyl)-3,4-dihydro-3-hydroxy-2-methyl-2H-1-benzopyran-4-yl]-N'-cyano-N''-(phenylmethyl)guanidine?
You can request a quote for N-[(2S,3S,4R)-8-Amino-2-(dimethoxymethyl)-3,4-dihydro-3-hydroxy-2-methyl-2H-1-benzopyran-4-yl]-N'-cyano-N''-(phenylmethyl)guanidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(2S,3S,4R)-8-Amino-2-(dimethoxymethyl)-3,4-dihydro-3-hydroxy-2-methyl-2H-1-benzopyran-4-yl]-N'-cyano-N''-(phenylmethyl)guanidine?
Yes, KEHONG BIO provides custom synthesis services for N-[(2S,3S,4R)-8-Amino-2-(dimethoxymethyl)-3,4-dihydro-3-hydroxy-2-methyl-2H-1-benzopyran-4-yl]-N'-cyano-N''-(phenylmethyl)guanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.