PNB Ser CNU
TL;DR: PNB Ser CNU (CAS 84993-80-6) is a chemical compound with molecular formula C14H15ClN4O8 and molecular weight 402.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-methoxy-3-oxopropyl] 4-nitrobenzoate
Also Known As: PNB Ser CNU, Serine, N-((2-chloroethyl)nitrosocarbamoyl)-, methyl ester, p-nitrobenzoate (ester), L-, L-N-((2-Chloroethyl)nitrosocarbamoyl)serine methyl ester p-nitrobenzoate (ester), Ester methylique de la O-(p-nitrobenzoate)-N-((chloro-2-ethyl)nitrosocarbamoyl)-L-serine, (2S)-2-{[(2-Chloroethyl)(nitroso)carbamoyl]amino}-3-methoxy-3-oxopropyl 4-nitrobenzoate
| Molecular Formula | C14H15ClN4O8 |
|---|---|
| Molecular Weight | 402.06 g/mol |
| LogP | 1.225 |
| Topological Polar Surface Area | 157.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 402.05783 |
| Heavy Atoms | 27 |
| Complexity | 711.5738 |
Chemical Identifiers
| CAS Number | 84993-80-6 |
|---|---|
| SMILES | COC(=O)[C@H](COC(=O)C1=CC=C(C=C1)[N+](=O)[O-])NC(=O)N(CCCl)N=O |
Product Overview
PNB Ser CNU (CAS 84993-80-6), with molecular formula C14H15ClN4O8 and molecular weight 402.06 g/mol. IUPAC: [(2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-methoxy-3-oxopropyl] 4-nitrobenzoate.
Chemical Property Profile of PNB Ser CNU
Property Insights of PNB Ser CNU
The XLogP value of 1.225 suggests moderate lipophilicity, balancing water solubility and membrane permeability for PNB Ser CNU. The TPSA of 157.51 Ų indicates high polarity, suggesting PNB Ser CNU may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, PNB Ser CNU has 1 hydrogen bond donor(s) and 9 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 PNB Ser CNU?
The CAS number of PNB Ser CNU is 84993-80-6.
What is the molecular formula of PNB Ser CNU?
The molecular formula of PNB Ser CNU is C14H15ClN4O8.
What is the molecular weight of PNB Ser CNU?
The molecular weight of PNB Ser CNU is 402.06 g/mol.
Where can I buy PNB Ser CNU?
You can request a quote for PNB Ser CNU directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for PNB Ser CNU?
Yes, KEHONG BIO provides custom synthesis services for PNB Ser CNU and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.