C12H16ClNO.ClH
TL;DR: C12H16ClNO.ClH (CAS 30074-73-8) is a chemical compound with molecular formula C12H17Cl2NO and molecular weight 261.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S)-8-chloro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-methylazanium chloride
Also Known As: 1-Naphthylamine, 1,2,3,4-tetrahydro-8-chloro-5-methoxy-N-methyl-, hydrochloride, (S)-, [(1S)-8-chloro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-methylazanium chloride, 1-Naphthylamine, 8-chloro-5-methoxy-N-methyl-1,2,3,4-tetrahydro-, hydrochloride, (S)-, 1-Naphthalenamine, 8-chloro-1,2,3,4-tetrahydro-5-methoxy-N-methyl-, hydrochloride, (S)-, 1-Naphthylamine, 8-chloro-1,2,3,4-tetrahydro-5-methoxy-N-methyl-, hydrochloride, (-)-
| Molecular Formula | C12H17Cl2NO |
|---|---|
| Molecular Weight | 261.07 g/mol |
| LogP | -1.08 |
| Topological Polar Surface Area | 25.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 261.06873 |
| Heavy Atoms | 16 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 30074-73-8 |
|---|---|
| SMILES | C[NH2+][C@H]1CCCC2=C(C=CC(=C12)Cl)OC.[Cl-] |
| InChIKey | PAJIFHNCQNJSEG-PPHPATTJSA-N |
Product Overview
C12H16ClNO.ClH (CAS 30074-73-8), with molecular formula C12H17Cl2NO and molecular weight 261.07 g/mol. IUPAC: [(1S)-8-chloro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-methylazanium chloride.
Chemical Property Profile of C12H16ClNO.ClH
Property Insights of C12H16ClNO.ClH
The XLogP value of -1.08 indicates that C12H16ClNO.ClH is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 25.8 Ų, C12H16ClNO.ClH exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C12H16ClNO.ClH has 1 hydrogen bond donor(s) and 2 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 C12H16ClNO.ClH?
The CAS number of C12H16ClNO.ClH is 30074-73-8.
What is the molecular formula of C12H16ClNO.ClH?
The molecular formula of C12H16ClNO.ClH is C12H17Cl2NO.
What is the molecular weight of C12H16ClNO.ClH?
The molecular weight of C12H16ClNO.ClH is 261.07 g/mol.
Where can I buy C12H16ClNO.ClH?
You can request a quote for C12H16ClNO.ClH directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C12H16ClNO.ClH?
Yes, KEHONG BIO provides custom synthesis services for C12H16ClNO.ClH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.