KR 31378
TL;DR: KR 31378 (CAS 335381-68-5) 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)-6-amino-2-(dimethoxymethyl)-3-hydroxy-2-methyl-3,4-dihydrochromen-4-yl]-2-benzyl-3-cyanoguanidine
Also Known As: KR 31378, J1.660.801G, 1-[(2S,3S,4R)-6-amino-2-(dimethoxymethyl)-3-hydroxy-2-methyl-3,4-dihydrochromen-4-yl]-2-benzyl-3-cyanoguanidine, 1-[(2R,3S)-6-amino-2-(dimethoxymethyl)-3-hydroxy-2-methyl-chroman-4-yl]-2-benzyl-3-cyano-guanidine, 1-Benzyl-3-[(2S,3S,4R)-2-(dimethoxymethyl)-2-methyl-3-hydroxy-6-amino-3,4-dihydro-2H-1-benzopyran-4-yl]-2-cyanoguanidine
| 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 | 335381-68-5 |
|---|---|
| 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
KR 31378 (CAS 335381-68-5), with molecular formula C22H27N5O4 and molecular weight 425.21 g/mol. IUPAC: 1-[(2S,3S,4R)-6-amino-2-(dimethoxymethyl)-3-hydroxy-2-methyl-3,4-dihydrochromen-4-yl]-2-benzyl-3-cyanoguanidine.
Chemical Property Profile of KR 31378
Property Insights of KR 31378
The XLogP value of 1.65728 suggests moderate lipophilicity, balancing water solubility and membrane permeability for KR 31378. The TPSA of 134.15 Ų falls within the moderate polarity range, balancing permeability and solubility for KR 31378. Following Lipinski's Rule of Five, KR 31378 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 KR 31378?
The CAS number of KR 31378 is 335381-68-5.
What is the molecular formula of KR 31378?
The molecular formula of KR 31378 is C22H27N5O4.
What is the molecular weight of KR 31378?
The molecular weight of KR 31378 is 425.21 g/mol.
Where can I buy KR 31378?
You can request a quote for KR 31378 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KR 31378?
Yes, KEHONG BIO provides custom synthesis services for KR 31378 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.