苯達莫司汀
TL;DR: 苯達莫司汀 (CAS 16506-27-7) is a chemical compound with molecular formula C16H21Cl2N3O2 and molecular weight 357.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯達莫司汀
4-[5-[bis(2-chloroethyl)amino]-1-methylbenzimidazol-2-yl]butanoic acid
Also Known As: Bendamustine, Bendamustina, Bendamustinum, Treanda, bendamustin
| Molecular Formula | C16H21Cl2N3O2 |
|---|---|
| Molecular Weight | 357.10 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 58.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 357.10107 |
| Heavy Atoms | 23 |
| Complexity | 380.0 |
Chemical Identifiers
| CAS Number | 16506-27-7 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)N(CCCl)CCCl)N=C1CCCC(=O)O |
| InChIKey | YTKUWDBFDASYHO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯達莫司汀 (CAS 16506-27-7), with molecular formula C16H21Cl2N3O2 and molecular weight 357.10 g/mol. IUPAC: 4-[5-[bis(2-chloroethyl)amino]-1-methylbenzimidazol-2-yl]butanoic acid.
Chemical Property Profile of 苯達莫司汀
Property Insights of 苯達莫司汀
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苯達莫司汀. With a topological polar surface area (TPSA) of 58.4 Ų, 苯達莫司汀 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯達莫司汀 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 苯達莫司汀?
The CAS number of 苯達莫司汀 is 16506-27-7.
What is the molecular formula of 苯達莫司汀?
The molecular formula of 苯達莫司汀 is C16H21Cl2N3O2.
What is the molecular weight of 苯達莫司汀?
The molecular weight of 苯達莫司汀 is 357.10 g/mol.
Where can I buy 苯達莫司汀?
You can request a quote for 苯達莫司汀 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯達莫司汀?
Yes, KEHONG BIO provides custom synthesis services for 苯達莫司汀 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.