NCIOpen2_008718
TL;DR: NCIOpen2_008718 (CAS 18450-45-8) is a chemical compound with molecular formula C17H22Cl2N2O3 and molecular weight 372.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[3-[bis(2-chloroethyl)amino]prop-2-enoylamino]-3-phenylpropanoate
Also Known As: NCIOpen2_008718, METHYL 2-[[(E)-3-[BIS(2-CHLOROETHYL)AMINO]PROP-2-ENOYL]AMINO]-3-PHENYL-PROPANOATE, Methyl N-{3-[bis(2-chloroethyl)amino]prop-2-enoyl}phenylalaninate, methyl 2-[3-[bis(2-chloroethyl)amino]prop-2-enoylamino]-3-phenylpropanoate
| Molecular Formula | C17H22Cl2N2O3 |
|---|---|
| Molecular Weight | 372.10 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 372.10074 |
| Heavy Atoms | 24 |
| Complexity | 407.0 |
Chemical Identifiers
| CAS Number | 18450-45-8 |
|---|---|
| SMILES | COC(=O)C(CC1=CC=CC=C1)NC(=O)C=CN(CCCl)CCCl |
| InChIKey | LMBVSKNWHPFDMH-UHFFFAOYSA-N |
Product Overview
NCIOpen2_008718 (CAS 18450-45-8), with molecular formula C17H22Cl2N2O3 and molecular weight 372.10 g/mol. IUPAC: methyl 2-[3-[bis(2-chloroethyl)amino]prop-2-enoylamino]-3-phenylpropanoate.
Chemical Property Profile of NCIOpen2_008718
Property Insights of NCIOpen2_008718
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCIOpen2_008718. With a topological polar surface area (TPSA) of 58.6 Ų, NCIOpen2_008718 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NCIOpen2_008718 has 1 hydrogen bond donor(s) and 4 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 NCIOpen2_008718?
The CAS number of NCIOpen2_008718 is 18450-45-8.
What is the molecular formula of NCIOpen2_008718?
The molecular formula of NCIOpen2_008718 is C17H22Cl2N2O3.
What is the molecular weight of NCIOpen2_008718?
The molecular weight of NCIOpen2_008718 is 372.10 g/mol.
Where can I buy NCIOpen2_008718?
You can request a quote for NCIOpen2_008718 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCIOpen2_008718?
Yes, KEHONG BIO provides custom synthesis services for NCIOpen2_008718 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.