Crc 7001
TL;DR: Crc 7001 (CAS 55981-23-2) is a chemical compound with molecular formula C21H27Cl3N2O and molecular weight 428.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-[(4-chlorophenyl)-phenylmethyl]-3-oxa-9-aza-6-azoniaspiro[5.5]undecane;chloride;hydrochloride
Also Known As: CRC 7001, 9-((4-Chlorophenyl)phenylmethyl)-3-oxa-9-aza-6-azoniaspiro(5.5)undecane chloride HCl, N(sup 1)-(4'-Chlorobenzhydryl)-N(sup 4)-spiromorpholino-piperazinium chloride hydrochloride, 3-Oxa-9-aza-6-azoniaspiro(5.5)undecane, 9-((4-chlorophenyl)phenylmethyl)-, chloride, hydrochloride, 3-[(4-chlorophenyl)-phenylmethyl]-9-oxa-3-aza-6-azoniaspiro[5.5]undecane chloride hydrochloride
| Molecular Formula | C21H27Cl3N2O |
|---|---|
| Molecular Weight | 428.12 g/mol |
| LogP | 1.0178 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 428.1189 |
| Heavy Atoms | 27 |
| Complexity | 402.0 |
Chemical Identifiers
| CAS Number | 55981-23-2 |
|---|---|
| SMILES | C1C[N+]2(CCN1C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl)CCOCC2.Cl.[Cl-] |
| InChIKey | UVEGINDLMSQSOX-UHFFFAOYSA-M |
Product Overview
Crc 7001 (CAS 55981-23-2), with molecular formula C21H27Cl3N2O and molecular weight 428.12 g/mol. IUPAC: 9-[(4-chlorophenyl)-phenylmethyl]-3-oxa-9-aza-6-azoniaspiro[5.5]undecane;chloride;hydrochloride.
Chemical Property Profile of Crc 7001
Property Insights of Crc 7001
The XLogP value of 1.0178 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Crc 7001. With a topological polar surface area (TPSA) of 12.5 Ų, Crc 7001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Crc 7001 has 1 hydrogen bond donor(s) and 3 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 Crc 7001?
The CAS number of Crc 7001 is 55981-23-2.
What is the molecular formula of Crc 7001?
The molecular formula of Crc 7001 is C21H27Cl3N2O.
What is the molecular weight of Crc 7001?
The molecular weight of Crc 7001 is 428.12 g/mol.
Where can I buy Crc 7001?
You can request a quote for Crc 7001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Crc 7001?
Yes, KEHONG BIO provides custom synthesis services for Crc 7001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.