氯脲霉素
TL;DR: 氯脲霉素 (CAS 54749-90-5) is a chemical compound with molecular formula C9H16ClN3O7 and molecular weight 313.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氯脲霉素
1-(2-chloroethyl)-1-nitroso-3-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]urea
Also Known As: CHLOROZOTOCIN, 1-(2-chloroethyl)-1-nitroso-3-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]urea
| Molecular Formula | C9H16ClN3O7 |
|---|---|
| Molecular Weight | 313.07 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 152.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.0677 |
| Heavy Atoms | 20 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 54749-90-5 |
|---|---|
| SMILES | C(CCl)N(C(=O)NC1C(C(C(OC1O)CO)O)O)N=O |
| InChIKey | MYBLAOJMRYYKMS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氯脲霉素 (CAS 54749-90-5), with molecular formula C9H16ClN3O7 and molecular weight 313.07 g/mol. IUPAC: 1-(2-chloroethyl)-1-nitroso-3-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]urea.
Chemical Property Profile of 氯脲霉素
Property Insights of 氯脲霉素
The XLogP value of -0.7 indicates that 氯脲霉素 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 152.0 Ų indicates high polarity, suggesting 氯脲霉素 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 氯脲霉素 has 5 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 氯脲霉素?
The CAS number of 氯脲霉素 is 54749-90-5.
What is the molecular formula of 氯脲霉素?
The molecular formula of 氯脲霉素 is C9H16ClN3O7.
What is the molecular weight of 氯脲霉素?
The molecular weight of 氯脲霉素 is 313.07 g/mol.
Where can I buy 氯脲霉素?
You can request a quote for 氯脲霉素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氯脲霉素?
Yes, KEHONG BIO provides custom synthesis services for 氯脲霉素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.