2-Chlorotoyocamycin
TL;DR: 2-Chlorotoyocamycin (CAS 67971-20-4) is a chemical compound with molecular formula C12H12ClN5O4 and molecular weight 325.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-2-chloro-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Also Known As: 2-Chlorotoyocamycin, 2-chloro-toyocamycin, 7H-Pyrrolo[2, 4-amino-2-chloro-7-.beta.-D-ribofuranosyl-, 4-Amino-2-chloro-7-pentofuranosyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, 7H-Pyrrolo[2,3-d]pyrimidine-5-carbonitrile, 4-amino-2-chloro-7-.beta.-D-ribofuranosyl-
| Molecular Formula | C12H12ClN5O4 |
|---|---|
| Molecular Weight | 325.06 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 150.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 325.05777 |
| Heavy Atoms | 22 |
| Complexity | 476.0 |
Chemical Identifiers
| CAS Number | 67971-20-4 |
|---|---|
| SMILES | C1=C(C2=C(N=C(N=C2N1C3C(C(C(O3)CO)O)O)Cl)N)C#N |
| InChIKey | ZNSOIHRWTPJWBC-UHFFFAOYSA-N |
Product Overview
2-Chlorotoyocamycin (CAS 67971-20-4), with molecular formula C12H12ClN5O4 and molecular weight 325.06 g/mol. IUPAC: 4-amino-2-chloro-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile.
Chemical Property Profile of 2-Chlorotoyocamycin
Property Insights of 2-Chlorotoyocamycin
The XLogP value of -0.7 indicates that 2-Chlorotoyocamycin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 150.0 Ų indicates high polarity, suggesting 2-Chlorotoyocamycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Chlorotoyocamycin has 4 hydrogen bond donor(s) and 8 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-Chlorotoyocamycin?
The CAS number of 2-Chlorotoyocamycin is 67971-20-4.
What is the molecular formula of 2-Chlorotoyocamycin?
The molecular formula of 2-Chlorotoyocamycin is C12H12ClN5O4.
What is the molecular weight of 2-Chlorotoyocamycin?
The molecular weight of 2-Chlorotoyocamycin is 325.06 g/mol.
Where can I buy 2-Chlorotoyocamycin?
You can request a quote for 2-Chlorotoyocamycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chlorotoyocamycin?
Yes, KEHONG BIO provides custom synthesis services for 2-Chlorotoyocamycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.